SCHEMBL12406129

SCHEMBL12406129

COc1ccccc1-c1ccc(C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.53
PTPN1 P18031 1/20 0.53
HPGD P15428 1/20 0.51
XBP1 P17861 1/20 0.51
ERN1 O75460 2/20 0.49
XDH P47989 1/20 0.49
APP P05067 1/20 0.46
HDAC4 P56524 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44

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
SCHEMBL23433177 0.86 HPGD (0.50) PTPRCPTPN1HPGDXBP1ERN1
SCHEMBL29225791 0.85 PTPRC (0.50) PTPRCPTPN1XDHAPPPPARG
SCHEMBL30913862 0.85 PTPRC (0.50) PTPRCPTPN1XDHAPPPPARG
SCHEMBL14286473 0.84 NFE2L2 (0.55) HPGDXBP1ERN1HDAC4HDAC8
SCHEMBL24102384 0.83 PTPRC (0.51) PTPRCPTPN1ERN1XDHAPP
SCHEMBL9258765 0.81 ERN1 (0.53) ERN1HDAC4HDAC8LMNACASR
SCHEMBL13913537 0.80 HDAC4 (0.57) PTPRCPTPN1HDAC4HDAC8CASR
SCHEMBL26041333 0.80 PTPRC (0.49) PTPRCPTPN1ERN1XDHAPP
SCHEMBL31490154 0.80 SLC6A4 (0.51) PTPRCPTPN1XDHAPPCA12
SCHEMBL5288600 0.80 SLC6A4 (0.51) PTPRCPTPN1XDHAPPCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162186-A1 PROSTAGLANDIN RECEPTOR EP2 ANTAGONISTS, DERIVATIVES, AND USES RELATED THERETO EMORY UNIVERSITY 2022-05-26 US disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 US disclosed
US-8283368-B2 Selective ligands for the dopamine 3 (D3) receptor and methods of using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-09 US disclosed
US-8283368-B2 Selective ligands for the dopamine 3 (D3) receptor and methods of using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-09 US disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 US disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 US disclosed
US-20090170845-A1 USE OF IMIDAZO[2,1-b]-1,3,4-THIADIAZOLE-2-SULFONAMIDE COMPOUNDS TO TREAT NEUROPATHIC PAIN AEGERA THERAPEUTICS INC. (CA) 2009-07-02 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-7361654-B2 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-04-22 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 (4 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-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, FAAH, FAAH2 PTPRC 4385/4885PTPN1 4189/4885HPGD 297/4885
US-20090170845-A1 USE OF IMIDAZO[2,1-b]-1,3,4-THIADIAZOLE-2-SULFONAMIDE COMPOUNDS TO TREAT NEUROPATHIC PAIN SCN1B, SCN3A, SCN1A PTPRC 1842/4885PTPN1 1077/4885HPGD 1056/4885
US-20220162186-A1 PROSTAGLANDIN RECEPTOR EP2 ANTAGONISTS, DERIVATIVES, AND USES RELATED THERETO PTGER2, PTGES2, PTGES PTPRC 1033/4885PTPN1 2835/4885HPGD 145/4885
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same DRD3, HTR3C, HTR3A PTPRC 1008/4885PTPN1 1346/4885HPGD 2081/4885

“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.