SCHEMBL6879062

SCHEMBL6879062

CON(Cc1ccc(C)cc1)C(=O)/C=C(\O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL6879068 1.00 CTBP2 (0.36) CTBP2KDM4EALDH1A1MAPTCA12
SCHEMBL6077166 0.89 KDM4E (0.42) KDM4EALDH1A1MAPTLMNA
SCHEMBL6077162 0.89 KDM4E (0.42) KDM4EALDH1A1MAPTLMNA
SCHEMBL6872170 0.88 NPC1 (0.40) CA12CA1CA2CA9TRPM8
SCHEMBL6872168 0.88 NPC1 (0.40) CA12CA1CA2CA9TRPM8
SCHEMBL3681999 0.87 TDP1 (0.39) CTBP2ALDH1A1MAPTCA12CA1
SCHEMBL6877326 0.87 ACHE (0.45) CTBP2ALDH1A1TRPM8TAS2R14
SCHEMBL3682001 0.87 TDP1 (0.39) CTBP2ALDH1A1MAPTCA12CA1
SCHEMBL6876913 0.87 BCL2A1 (0.43) CTBP2ALDH1A1
SCHEMBL6877322 0.87 ACHE (0.45) CTBP2ALDH1A1TRPM8TAS2R14

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
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 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-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 CTBP2 2429/4885KDM4E 1398/4885ALDH1A1 976/4885

“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.