SCHEMBL2600784

SCHEMBL2600784

Cc1cccc(Cc2ccccc2C(=O)O)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
CYP2C9 P11712 3/20 0.53
CYP3A4 P08684 3/20 0.53
HIF1A Q16665 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
AKR1B10 O60218 1/20 0.53
TRPA1 O75762 1/20 0.53
ABCB11 O95342 1/20 0.53
DHFR P00374 1/20 0.53
LMNA P02545 1/20 0.53
MPO P05164 1/20 0.53
CYP1A2 P05177 1/20 0.53
CHRM1 P11229 1/20 0.53
AKR1B1 P15121 1/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28205348 0.87 TSHR (0.61) TSHRCYP2C9CYP3A4HIF1AKMT2A
SCHEMBL8041465 0.87 KDM4E (0.61) TSHRCYP2C9CYP3A4HIF1AKMT2A
SCHEMBL69352 0.83 TSHR (0.68) TSHRCYP2C9HIF1AAKR1C3NAPRT
SCHEMBL17938486 0.81 TSHR (0.66) TSHRCYP2C9HIF1AAKR1C3NAPRT
SCHEMBL29225318 0.81 TSHR (0.57) TSHRCYP2C9CYP3A4HIF1AKMT2A
Phthalic Acid SCHEMBL27960519 0.79 CYP3A4 (0.70) TSHRCYP2C9CYP3A4HIF1AKMT2A
SCHEMBL10022812 0.79 KDM4C (0.45) TSHRCYP2C9CYP3A4HIF1AKMT2A
SCHEMBL3306785 0.79 ESR1 (0.47) TSHRCYP3A4TRPA1CYP1A2ALDH1A1
SCHEMBL11490533 0.79 PTPN1 (0.64) CYP2C9CYP3A4KMT2AALDH1A1KDM4E
SCHEMBL7477210 0.79 HPGD (0.50) TSHRCYP2C9HIF1AKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9775906-B2 Hydrogel polymeric compositions and methods INCEPT LLC (US) 2017-10-03 US disclosed
US-9504753-B2 Nanometer-sized prodrugs of NSAIDs CEDARS-SINAI MEDICAL CENTER (US) 2016-11-29 US disclosed
US-20160296623-A1 HYDROGEL POLYMERIC COMPOSITIONS AND METHODS INCEPT, LLC 2016-10-13 US disclosed
US-9456985-B2 Sustained-released product comprising a combination of a non-opioid amine and a non-steroidal, anti-inflammatory drug UPSHER-SMITH LABORATORIES, INC. (US) 2016-10-04 US disclosed
US-9370485-B2 Hydrogel polymeric compositions and methods INCEPT, LLC (US) 2016-06-21 US disclosed
US-20160115192-A1 ANTIOXIDANT, ANTI-INFLAMMATORY AND ANTICANCER DERIVATIVES OF TRIPTOLIDE AND NANOSPHERES THEREOF CEDARS-SINAI MEDICAL CENTER (US) 2016-04-28 US disclosed
US-20160045620-A1 USE OF NANOMETER-SIZED PRODRUGS OF NSAIDs TO TREAT TRAUMATIC BRAIN INJURY CEDARS-SINAI MEDICAL CENTER (US) 2016-02-18 US disclosed
US-20150238423-A1 Sustained-Released Product Comprising a Combination of a Non-Opioid Amine and a Non-Steroidal, Anti-Inflammatory Drug UPSHER-SMITH LABORATORIES, INC. (US) 2015-08-27 US disclosed
US-20150182462-A1 Opioid-Containing Oral Pharmaceutical Compositions and Methods UPSHER-SMITH LABORATORIES, INC. 2015-07-02 US disclosed
US-9023390-B2 Sustained-release product comprising a combination of a non-opioid amine and a non-steroidal anti-inflammatory drug UPSHER-SMITH LABORATORIES, INC. (US) 2015-05-05 US disclosed
US-20110275658-A1 OPIOID-CONTAINING ORAL PHARMACEUTICAL COMPOSITIONS AND METHODS UPSHER-SMITH LABORATORIES, INC. (US) 2011-11-10 US disclosed
US-8053591-B2 Functionalized biodegradable triclosan monomers and oligomers for controlled release BEZWADA BIOMEDICAL, LLC (US) 2011-11-08 US disclosed
US-8053591-B2 Functionalized biodegradable triclosan monomers and oligomers for controlled release BEZWADA BIOMEDICAL, LLC (US) 2011-11-08 US disclosed
US-8026285-B2 Control release of biologically active compounds from multi-armed oligomers BEZWADA BIOMEDICAL, LLC (US) 2011-09-27 US disclosed
US-8026285-B2 Control release of biologically active compounds from multi-armed oligomers BEZWADA BIOMEDICAL, LLC (US) 2011-09-27 US disclosed
US-20110217248-A1 Topical Composition ISW GROUP, INC. (US) 2011-09-08 US disclosed
US-20110086073-A1 NANOMETER-SIZED PRODRUGS OF NSAIDs CEDARS-SINAI MEDICAL CENTER (US) 2011-04-14 US disclosed
US-20090105352-A1 FUNCTIONALIZED BIODEGRADABLE TRICLOSAN MONOMERS AND OLIGOMERS FOR CONTROLLED RELEASE BEZWADA BIOMEDICAL, LLC (US) 2009-04-23 US disclosed
US-20090076174-A1 CONTROL RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS FROM MULTI-ARMED OLIGOMERS BEZWADA BIOMEDICAL, LLC (US) 2009-03-19 US disclosed
US-20090076174-A1 CONTROL RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS FROM MULTI-ARMED OLIGOMERS BEZWADA BIOMEDICAL, LLC (US) 2009-03-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110275658-A1 OPIOID-CONTAINING ORAL PHARMACEUTICAL COMPOSITIONS AND METHODS OPRK1, OPRM1, OPRL1 TSHR 4135/4885CYP2C9 34/4885CYP3A4 114/4885
US-20090105352-A1 FUNCTIONALIZED BIODEGRADABLE TRICLOSAN MONOMERS AND OLIGOMERS FOR CONTROLLED RELEASE LTN1, PARN, TLR3 TSHR 2565/4885CYP2C9 1015/4885CYP3A4 984/4885
US-20150182462-A1 Opioid-Containing Oral Pharmaceutical Compositions and Methods OPRK1, OPRM1, OPRL1 TSHR 4135/4885CYP2C9 34/4885CYP3A4 114/4885
US-20090076174-A1 CONTROL RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS FROM MULTI-ARMED OLIGOMERS MME, CTSA, ALG1 TSHR 3963/4885CYP2C9 2996/4885CYP3A4 2364/4885
US-20160296623-A1 HYDROGEL POLYMERIC COMPOSITIONS AND METHODS CRYAA, CRYAB, UACA TSHR 2992/4885CYP2C9 4107/4885CYP3A4 4809/4885
US-20110086073-A1 NANOMETER-SIZED PRODRUGS OF NSAIDs PTGS1, NFKBIA, NOS1 TSHR 4341/4885CYP2C9 186/4885CYP3A4 247/4885
US-20110217248-A1 Topical Composition S100A8, S100P, BPTF TSHR 4665/4885CYP2C9 2781/4885CYP3A4 2773/4885
US-20160045620-A1 USE OF NANOMETER-SIZED PRODRUGS OF NSAIDs TO TREAT TRAUMATIC BRAIN INJURY PTGS1, PTGS2, PTGES3 TSHR 4828/4885CYP2C9 498/4885CYP3A4 651/4885
US-20150238423-A1 Sustained-Released Product Comprising a Combination of a Non-Opioid Amine and a Non-Steroidal, Anti-Inflammatory Drug OPRK1, OPRM1, SIGMAR1 TSHR 3692/4885CYP2C9 114/4885CYP3A4 179/4885
US-20160115192-A1 ANTIOXIDANT, ANTI-INFLAMMATORY AND ANTICANCER DERIVATIVES OF TRIPTOLIDE AND NANOSPHERES THEREOF PDCD1, SOD1, PDCD1LG2 TSHR 4097/4885CYP2C9 1275/4885CYP3A4 1233/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.