SCHEMBL12286249

SCHEMBL12286249

CC(=O)Cc1ccccc1Cc1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.41
SLC22A12 Q96S37 3/20 0.41
KMT2A Q03164 3/20 0.41
ADRA1A P35348 2/20 0.40
ADRA2A P08913 2/20 0.40
MAOA P21397 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
HIF1A Q16665 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL16558002 0.89 AKR1B1 (0.43) AKR1B1SLC22A12KMT2AADRA1AADRA2A
SCHEMBL16326251 0.84 AKR1B1 (0.63) AKR1B1SLC22A12ADRA1ACYP2C9CXCL8
SCHEMBL265672 0.81 CTBP2 (0.55) L3MBTL1KMT2AMAOACYP2D6ADRA2C
Methyl Alcohol SCHEMBL28233464 0.80 CTBP2 (0.53) L3MBTL1KMT2AMAOACYP2D6ADRA2C
SCHEMBL8984622 0.80 PNMT (0.54) AKR1B1L3MBTL1KMT2AADRA1AMEN1
SCHEMBL2421854 0.79 AKR1B1 (0.65) AKR1B1KMT2AADRA1AADRA2AMAOA
SCHEMBL6805430 0.79 L3MBTL1 (0.57) AKR1B1L3MBTL1CYP3A4LMNAMAPK1
Benzene SCHEMBL10992898 0.77 L3MBTL1 (0.60) AKR1B1L3MBTL1CYP3A4LMNAHSD17B10
SCHEMBL28094939 0.77 HSP90AA1 (0.47) AKR1B1L3MBTL1KMT2AADRA1AMAOA
SCHEMBL14691047 0.75 P2RX7 (0.45) AKR1B1L3MBTL1ADRA1AMAOACXCL8

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226084-A9 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS TECHFIELDS PHARMA CO., LTD. (CN) 2024-07-11 US disclosed
US-11857545-B2 High penetration prodrug compositions and pharmaceutical composition thereof for treatment of pulmonary conditions TECHFIELDS PHARMA CO., LTD. (CN) 2024-01-02 US disclosed
US-11834388-B2 Continuous-flow preparation method of diclofenac sodium FUDAN UNIVERSITY (CN) 2023-12-05 US disclosed
US-11813256-B2 High penetration prodrug compositions and pharmaceutical compositon thereof for treatment of pulmonary conditions PREMIER RESEARCH INTERNATIONAL, LLC 2023-11-14 US disclosed
US-20230234911-A1 METHOD FOR SYNTHESIZING DICLOFENAC SODIUM FUDAN UNIVERSITY (CN) 2023-07-27 US disclosed
US-20230192595-A1 CONTINUOUS-FLOW PREPARATION METHOD OF DICLOFENAC SODIUM FUDAN UNIVERSITY (CN) 2023-06-22 US disclosed
US-20140057959-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE UNIVERSIDADE ESTADUAL PAULISTA JULIO DE MESQUITA FILHO - UNESP (BR) 2014-02-27 US disclosed
US-8569335-B2 Compounds derived from taurine, process of their preparation and pharmaceutical compositions containing these EMS S.A. (BR) 2013-10-29 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-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S.A. (BR) 2011-05-19 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 (9 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-20230234911-A1 METHOD FOR SYNTHESIZING DICLOFENAC SODIUM SULT2A1, CRYAA, AADAC AKR1B1 1187/4885L3MBTL1 4532/4885SLC22A12 2114/4885
US-20140057959-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE TPMT, UTS2R, NSUN3 AKR1B1 310/4885L3MBTL1 4668/4885SLC22A12 3203/4885
US-20240226084-A9 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS HRH4, HCAR2, PAH AKR1B1 461/4885L3MBTL1 4827/4885SLC22A12 290/4885
US-11813256-B2 High penetration prodrug compositions and pharmaceutical compositon thereof for treatment of pulmonary conditions CPA3, PAH, HCAR2 AKR1B1 597/4885L3MBTL1 4421/4885SLC22A12 421/4885
US-20230192595-A1 CONTINUOUS-FLOW PREPARATION METHOD OF DICLOFENAC SODIUM SULT2A1, NIT2, CA2 AKR1B1 416/4885L3MBTL1 4308/4885SLC22A12 779/4885
US-20090076174-A1 CONTROL RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS FROM MULTI-ARMED OLIGOMERS MME, CTSA, ALG1 AKR1B1 1747/4885L3MBTL1 3068/4885SLC22A12 4783/4885
US-11834388-B2 Continuous-flow preparation method of diclofenac sodium SULT2A1, NIT2, CA2 AKR1B1 429/4885L3MBTL1 4178/4885SLC22A12 806/4885
US-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE TPMT, UTS2R, NSUN3 AKR1B1 310/4885L3MBTL1 4668/4885SLC22A12 3203/4885
US-11857545-B2 High penetration prodrug compositions and pharmaceutical composition thereof for treatment of pulmonary conditions HRH4, HCAR2, PAH AKR1B1 461/4885L3MBTL1 4827/4885SLC22A12 290/4885

“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.