SCHEMBL3297777

SCHEMBL3297777

CCCCCCCCCc1cccc(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.61
▸ PPARA Q07869 3/20 0.61
▸ CHRM2 P08172 2/20 0.61
▸ CHRM1 P11229 2/20 0.61
▸ CHRM3 P20309 2/20 0.61
▸ TAAR1 Q96RJ0 1/20 0.61
▸ HDAC1 Q13547 1/20 0.60
▸ HDAC6 Q9UBN7 1/20 0.60
▸ EPHX2 P34913 2/20 0.57
▸ MTNR1A P48039 1/20 0.56
▸ MTNR1B P49286 1/20 0.56

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
SCHEMBL17509808 1.00 PPARG (0.61) PPARGPPARACHRM2CHRM1CHRM3
SCHEMBL3477833 1.00 PPARG (0.61) PPARGPPARACHRM2CHRM1CHRM3
SCHEMBL9747684 1.00 PPARG (0.61) PPARGPPARACHRM2CHRM1CHRM3
SCHEMBL8956379 1.00 PPARG (0.61) PPARGPPARACHRM2CHRM1CHRM3
SCHEMBL10534527 1.00 PPARG (0.61) PPARGPPARACHRM2CHRM1CHRM3
SCHEMBL9796229 1.00 PPARG (0.61) PPARGPPARACHRM2CHRM1CHRM3
SCHEMBL4817193 0.98 CHRM2 (0.63) PPARGPPARACHRM2CHRM1CHRM3
SCHEMBL145383 0.93 CHRM2 (0.65) CHRM2CHRM1CHRM3TAAR1HDAC1
SCHEMBL21002124 0.93 TAAR1 (0.69) CHRM2CHRM1CHRM3TAAR1HDAC1
SCHEMBL19021153 0.91 PPARA (0.68) PPARGPPARACHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170196854-A1 USE OF ANTHELMINTIC AGENTS AGAINST DIROFILARIA IMMITIS INTERVET INC. (US) 2017-07-13 — — US disclosed
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 — — US disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 — — US disclosed
US-7741352-B2 KCNQ channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2010-06-22 — — US disclosed
US-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2006-08-03 — — US disclosed
EP-1603858-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NeuroSearch A/S (DK) 2005-12-14 — — EP disclosed
WO-2004080377-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NEUROSEARCH A/S (DK) 2004-09-23 — — WO disclosed
US-4837301-A FROM ALKALI MTEAL SULFIDES AND AROMATIC DIHALOGEN COMPOUNDS; IMPROVED CORROSION RESISTANCE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-06 — — US disclosed
EP-0275007-A2 Process for the preparation of highly molecular, optionally branched polyarylene sulfides BAYER AG (DE) 1988-07-20 — — 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 (3 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-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO PPARG 4152/4885PPARA 3571/4885CHRM2 2787/4885
US-20170196854-A1 USE OF ANTHELMINTIC AGENTS AGAINST DIROFILARIA IMMITIS MPO, DHODH, DHX35 PPARG 3848/4885PPARA 3853/4885CHRM2 3515/4885
US-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use KCNQ1, KCNQ2, KCNQ5 PPARG 1843/4885PPARA 2440/4885CHRM2 287/4885

“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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