SCHEMBL12263267

SCHEMBL12263267

O=C1OCCC=C1c1ccc(C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
TTR P02766 1/20 0.39
DAO P14920 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
EGFR P00533 1/20 0.38
SRD5A2 P31213 3/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
TNKS O95271 1/20 0.37
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
OPRD1 P41143 1/20 0.36

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
SCHEMBL979154 0.82 CYP2C19 (0.41) CYP2C19KMT2A
SCHEMBL29822762 0.79 ALDH1A1 (0.39) TSHRNPC1RAB9ATP53TNKS
Terephthalic Acid SCHEMBL3979457 0.78 TSHR (0.50) TSHRNPC1RAB9ATP53BCL2L1
SCHEMBL29822613 0.77 NOTUM (0.36) TSHRTNKSCYP2C19
SCHEMBL6995497 0.77 PTGS1 (0.41) NPC1RAB9ATNKSCYP2C19KMT2A
SCHEMBL5319785 0.77 BCL2L1 (0.50) TSHRNPC1RAB9ATP53BCL2L1
Terephthalic Acid SCHEMBL28622230 0.75 TSHR (0.46) TSHRNPC1RAB9ATP53BCL2L1
Terephthalic Acid SCHEMBL1234263 0.75 TSHR (0.46) TSHRNPC1RAB9ATP53BCL2L1
Terephthalic Acid SCHEMBL28279901 0.75 TSHR (0.46) TSHRNPC1RAB9ATP53BCL2L1
SCHEMBL8485036 0.74 BCL2L1 (0.47) TSHRNPC1RAB9ATP53BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022208-B2 Benzene derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-20 US disclosed
US-8022208-B2 Benzene derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-20 US disclosed
US-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
EP-1947086-A1 BENZENE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-07-23 EP 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 (1 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-20090054352-A1 BENZENE DERIVATIVE OR SALT THEREOF F12, F2, SERPINC1 TSHR 2071/4885NPC1 4105/4885RAB9A 2620/4885

“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.