SCHEMBL101186

SCHEMBL101186

O=[C]c1ccccc1C(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
ALOX15 P16050 2/20 0.50
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
POLB P06746 2/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
HMGB1 P09429 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NAPRT Q6XQN6 1/20 0.33

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
SCHEMBL1340299 0.80 ALDH1A1 (0.48) ALDH1A1ALOX15KDM4EPOLBCA1
SCHEMBL9403551 0.80 ALDH1A1 (0.48) ALDH1A1ALOX15CES2CES1NPC1
SCHEMBL8385 0.79 ALDH1A1 (0.59) ALDH1A1ALOX15NPC1RAB9AKDM4E
SCHEMBL1157075 0.79 ALDH1A1 (0.40) ALDH1A1ALOX15CES2CES1NPC1
Hydrochloric Acid SCHEMBL28252892 0.78 ALDH1A1 (0.47) ALDH1A1ALOX15KDM4EPOLBCA1
SCHEMBL104615 0.77 ALDH1A1 (0.39) ALDH1A1ALOX15CES2CES1NPC1
SCHEMBL11411301 0.77 ALDH1A1 (0.39) ALDH1A1ALOX15CES2CES1NPC1
SCHEMBL151086 0.77 FFAR1 (0.49) ALDH1A1ALOX15NPC1RAB9AKDM4E
SCHEMBL896901 0.77 NPC1 (0.41) ALDH1A1ALOX15CES2CES1NPC1
SCHEMBL11418729 0.77 ALDH1A1 (0.39) ALDH1A1ALOX15CES2CES1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426102-A1 PROCESS FOR PRODUCING PHTHALIC ACID COMPOUND INCLUDING CHLORINATED AROMATIC RING Sumitomo Chemical Company, Limited (JP) 2012-03-07 EP disclosed
US-20120035395-A1 PROCESS FOR PRODUCING PHTHALIC ACID COMPOUND INCLUDING CHLORINATED AROMATIC RING SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-09 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 (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-20120035395-A1 PROCESS FOR PRODUCING PHTHALIC ACID COMPOUND INCLUDING CHLORINATED AROMATIC RING NISCH, DDT, CUL1 ALDH1A1 2049/4885ALOX15 3167/4885CES2 1415/4885

“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.