SCHEMBL13320688

SCHEMBL13320688

COc1cccc(/C=C/C(=O)Nc2ccccc2C(=O)O)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 9/20 0.60
▸ TRPM8 Q7Z2W7 5/20 0.60
▸ MEN1 O00255 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ NPC1 O15118 3/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ MAPT P10636 3/20 0.60
▸ ALDH1A1 P00352 3/20 0.57
▸ HPGD P15428 3/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ TP53 P04637 2/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ HIF1A Q16665 2/20 0.57
▸ APEX1 P27695 2/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57

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
SCHEMBL13320698 0.84 TRPM2 (0.55) TRPA1TRPM8MEN1KMT2ASMN1; SMN2
SCHEMBL13320651 0.78 TRPM2 (0.60) TRPA1TRPM8MEN1KMT2ASMN1; SMN2
SCHEMBL9767884 0.78 TRPM2 (0.60) TRPA1TRPM8MEN1KMT2ASMN1; SMN2
SCHEMBL2843987 0.78 TRPA1 (0.69) TRPA1TRPM8MEN1KMT2ASMN1; SMN2
SCHEMBL2843981 0.78 TRPA1 (0.69) TRPA1TRPM8MEN1KMT2ASMN1; SMN2
SCHEMBL1225317 0.76 KDM4E (0.49) SMN1; SMN2ALDH1A1HPGDKDM4EAPEX1
SCHEMBL1225315 0.76 KDM4E (0.49) SMN1; SMN2ALDH1A1HPGDKDM4EAPEX1
SCHEMBL8060572 0.75 TRPA1 (1.00) TRPA1TRPM8MEN1KMT2ASMN1; SMN2
SCHEMBL2849668 0.75 TRPA1 (1.00) TRPA1TRPM8MEN1KMT2ASMN1; SMN2
SCHEMBL8060574 0.75 TRPA1 (1.00) TRPA1TRPM8MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9561201-B2 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2017-02-07 — — US disclosed
US-20140357628-A1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2014-12-04 — — US disclosed
US-8765812-B2 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2014-07-01 — — US disclosed
US-8765812-B2 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2014-07-01 — — US disclosed
US-20100130497-A1 Therapeutic Compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2010-05-27 — — US disclosed
US-20100130497-A1 Therapeutic Compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2010-05-27 — — US disclosed
WO-2008003141-A1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2008-01-10 — — 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-20140357628-A1 THERAPEUTIC COMPOUNDS NFATC1, AADAC, NAT1 TRPA1 78/4885TRPM8 1047/4885MEN1 2604/4885
US-20100130497-A1 Therapeutic Compounds NFATC1, NAT1, AADAC TRPA1 87/4885TRPM8 1053/4885MEN1 2640/4885

“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.

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