SCHEMBL2008740

SCHEMBL2008740

O=C(O)C(CCc1ccccc1)c1c[nH]c2ccc(O)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ NFKB1 P19838 2/20 0.47
▸ PMP22 Q01453 2/20 0.47
▸ HTR2C P28335 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HTR7 P34969 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ MTOR P42345 1/20 0.47

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
SCHEMBL15747721 0.85 KMT2A (0.63) ALDH1A1LMNAMAPTKMT2ATSHR
SCHEMBL28422454 0.80 NPSR1 (0.55) TRPV1ALDH1A1LMNANPSR1MAPT
SCHEMBL9536748 0.80 NPSR1 (0.56) TRPV1ALDH1A1LMNANPSR1MAPT
SCHEMBL15747718 0.78 KMT2A (0.54) TRPV1ALDH1A1MAPTKMT2ACYP3A4
SCHEMBL9528293 0.76 LTA4H (0.57) ALDH1A1MAPTKMT2AKDM4ECYP3A4
SCHEMBL7292049 0.75 NPSR1 (0.55) TRPV1ALDH1A1LMNANPSR1MAPT
SCHEMBL18962278 0.75 MAPT (0.53) ALDH1A1NPSR1MAPTKMT2AKDM4E
SCHEMBL2494144 0.73 HTR2C (0.52) TRPV1ALDH1A1LMNANPSR1MAPT
SCHEMBL1667862 0.73 NPSR1 (0.59) TRPV1ALDH1A1LMNANPSR1MAPT
SCHEMBL7289880 0.73 NPSR1 (0.59) TRPV1ALDH1A1LMNANPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 — — US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 — — US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 — — US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 — — EP disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 — — EP disclosed
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 — — CN disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 — — CN disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 — — EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 — — 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 TRPV1 42/4885ALDH1A1 1229/4885LMNA 3450/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT TRPV1 645/4885ALDH1A1 178/4885LMNA 4536/4885

“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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