SCHEMBL4016019

SCHEMBL4016019

COC(=O)C1Cc2ccc(Cl)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MAPT P10636 1/20 0.43
P2RX7 Q99572 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SLC6A4 P31645 1/20 0.39
ABL1 P00519 1/20 0.39
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL27033455 0.88 MAPT (0.43) KMT2AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL29958397 0.88 MAPT (0.43) KMT2AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL24214577 0.88 FAAH (0.43) KMT2AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL2464708 0.85 KMT2A (0.48) KMT2ACA1CA2
SCHEMBL16595273 0.84 P2RX7 (0.41) KMT2AMAPTP2RX7SMN1; SMN2MEN1
SCHEMBL29174247 0.83 CYP1A2 (0.40) KMT2AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL11378329 0.83 RAB9A (0.56) KMT2AMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL29992013 0.82 KMT2A (0.47) KMT2ASMN1; SMN2MEN1ALDH1A1SLC6A4
SCHEMBL5859196 0.81 KMT2A (0.48) KMT2AMAPTALDH1A1
SCHEMBL18989955 0.80 KMT2A (0.47) KMT2ACA1CA2CA12CA7

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-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 US disclosed
EP-0056271-B1 CARBOXYLIC ACID ESTERS AND INSECTICIDAL AND/OR ACARICIDAL COMPOSITIONS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-05-07 EP disclosed
US-4480118-A Carboxylic acid ester and an insecticidal and/or acaricidal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-10-30 US disclosed
EP-0056271-A2 Carboxylic acid esters and insecticidal and/or acaricidal compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-07-21 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-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C KMT2A 1449/4885MAPT 433/4885P2RX7 488/4885

“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.