SCHEMBL566342

SCHEMBL566342

CCCOc1ccc(C=O)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.55
FDPS P14324 1/20 0.54
ALDH1A1 P00352 8/20 0.53
HPGD P15428 4/20 0.53
MAPT P10636 4/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
LMNA P02545 2/20 0.51
ALDH3A1 P30838 1/20 0.50
ALDH1A3 P47895 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
TACR2 P21452 1/20 0.47
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL566481 0.92 FDPS (0.53) CSNK2A1FDPSALDH1A1HPGDMAPT
SCHEMBL566676 0.90 FDPS (0.51) CSNK2A1FDPSALDH1A1HPGDMAPT
SCHEMBL3912828 0.89 THRA (0.51) CSNK2A1FDPSALDH1A1HPGDMAPT
SCHEMBL5703040 0.89 THRA (0.51) CSNK2A1FDPSALDH1A1HPGDMAPT
SCHEMBL20214636 0.88 THRA (0.50) CSNK2A1FDPSALDH1A1HPGDMAPT
SCHEMBL20214503 0.88 THRA (0.50) CSNK2A1FDPSALDH1A1HPGDMAPT
SCHEMBL30902399 0.86 ALDH1A1 (0.60) FDPSALDH1A1HPGDMAPTCYP1A2
SCHEMBL566725 0.86 ALDH1A1 (0.60) FDPSALDH1A1HPGDMAPTCYP1A2
SCHEMBL5702962 0.86 ALDH1A1 (0.60) FDPSALDH1A1HPGDMAPTCYP1A2
SCHEMBL5882634 0.84 FDPS (0.69) FDPSALDH1A1HPGDMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118679-A1 N-Methyl Pyrazoles Prosetta Antiviral ,Inc. 2018-05-03 US disclosed
WO-2016161021-A1 N-METHYL PYRAZOLES Prosetta Antiviral, Inc. (US) 2016-10-06 WO disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
WO-2014063199-A1 ORGANIC COMPOUNDS AKAAL PHARMA PTY LTD (AU) 2014-05-01 WO disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010127212-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed
US-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE SARMA PAKALA KUMARA SAVITHRU 2010-11-04 US disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
US-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 US disclosed
EP-1687641-A2 TREATING NEUROPATHIC PAIN WITH NEUROPEPTIDE FF RECEPTOR 2 AGONISTS Acadia Pharmaceuticals Inc. (US) 2006-08-09 EP disclosed
EP-1638540-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-03-29 EP disclosed
US-20050136444-A1 Treating neuropathic pain with neuropeptide FF receptor 2 agonists ACADIA PHARMACEUTICALS INC. 2005-06-23 US disclosed
WO-2005031000-A2 TREATING NEUROPATHIC PAIN WITH NEUROPEPTIDE FF RECEPTOR 2 AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2005-04-07 WO disclosed
WO-2005002574-A1 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2005-01-13 WO disclosed
WO-2005000281-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2005-01-06 WO 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-20070037846-A1 Pyrazolidinedione derivatives P2RY1, P2RY4, P2RY2 CSNK2A1 2940/4885FDPS 1728/4885ALDH1A1 1198/4885
US-20180118679-A1 N-Methyl Pyrazoles ZC3HAV1, MAVS, NNMT CSNK2A1 3642/4885FDPS 846/4885ALDH1A1 3967/4885
US-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 CSNK2A1 3191/4885FDPS 1055/4885ALDH1A1 3045/4885
US-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE ACACA, ACACB, PC CSNK2A1 1096/4885FDPS 116/4885ALDH1A1 276/4885

“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.