SCHEMBL566516

SCHEMBL566516

CCCOc1ccc(C(=O)O)cc1OCCC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
CASP6 P55212 1/20 0.66
TSHR P16473 3/20 0.63
KMT2A Q03164 1/20 0.58
HPGD P15428 2/20 0.56
ALDH1A1 P00352 2/20 0.56
PTPN11 Q06124 1/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA7 P43166 1/20 0.55
TPMT P51580 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
CREBBP Q92793 1/20 0.54
HSD17B10 Q99714 2/20 0.54
MAPT P10636 1/20 0.54
PLA2G4B P0C869 1/20 0.52

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
SCHEMBL177336 0.92 TSHR (0.77) POLBCASP6TSHRKMT2AHPGD
SCHEMBL7334285 0.92 CA12 (0.69) POLBCASP6TSHRHPGDCA12
SCHEMBL7336764 0.91 ALDH1A1 (0.67) POLBCASP6TSHRHPGDALDH1A1
SCHEMBL4023882 0.91 POLB (0.64) POLBCASP6TSHRHPGDALDH1A1
SCHEMBL1199892 0.90 ALDH1A1 (0.69) POLBCASP6TSHRHPGDALDH1A1
SCHEMBL1199847 0.90 ALDH1A1 (0.69) POLBCASP6TSHRHPGDALDH1A1
SCHEMBL1200986 0.90 ALDH1A1 (0.69) POLBCASP6TSHRHPGDALDH1A1
SCHEMBL1201602 0.90 ALDH1A1 (0.69) POLBCASP6TSHRHPGDALDH1A1
SCHEMBL9512861 0.90 ALDH1A1 (0.65) POLBCASP6TSHRHPGDALDH1A1
SCHEMBL1231278 0.90 ALDH1A1 (0.69) POLBCASP6TSHRHPGDALDH1A1

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
EP-4069252-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING SS-CELL PATHOGENESIS AND TREATING DIABETES Academia Sinica (CN) 2022-10-12 EP disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
EP-1874722-B1 HYDROXAMIC ACID DERIVATIVES AND THE PREPARATION METHOD THEREOF AMOREPACIFIC CORP (KR) 2015-04-08 EP 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-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
US-7485750-B2 Hydroxamic acid derivatives and the preparation method thereof AMOREPACIFIC CORPORATION (KR) 2009-02-03 US disclosed
US-20080242730-A1 Hydroxamic Acid Derivatives and the Preparation Method Thereof AMOREPACIFIC CORPORATION (KR) 2008-10-02 US disclosed
EP-1874722-A1 HYDROXAMIC ACID DERIVATIVES AND THE PREPARATION METHOD THEREOF Amorepacific Corporation (KR) 2008-01-09 EP disclosed
WO-2006118380-A1 HYDROXAMIC ACID DERIVATIVES AND THE PREPARATION METHOD THEREOF AMOREPACIFIC CORPORATION (KR) 2006-11-09 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 (2 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 POLB 4275/4885CASP6 1952/4885TSHR 667/4885
US-20080242730-A1 Hydroxamic Acid Derivatives and the Preparation Method Thereof COL14A1, CUTA, COL2A1 POLB 1096/4885CASP6 681/4885TSHR 4670/4885

“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.