SCHEMBL5248699

SCHEMBL5248699

Cc1ccccc1CCCCCl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.54
▸ MAPT P10636 1/20 0.44
▸ CHRM2 P08172 1/20 0.41
▸ DAO P14920 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ LIPG Q9Y5X9 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ GPR84 Q9NQS5 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36

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
SCHEMBL10865658 0.98 TAAR1 (0.52) TAAR1MAPTCHRM2DAOCA12
SCHEMBL9650526 0.98 TAAR1 (0.52) TAAR1MAPTCHRM2DAOCA12
SCHEMBL10942286 0.93 TAAR1 (0.56) TAAR1MAPTCHRM2DAOCA12
SCHEMBL6546757 0.89 TAAR1 (0.65) TAAR1CHRM2DAOCA12CA1
SCHEMBL8085424 0.86 TAAR1 (0.62) TAAR1CHRM2DAOCA12CA1
SCHEMBL8099979 0.86 TAAR1 (0.62) TAAR1CHRM2DAOCA12CA1
SCHEMBL8087712 0.86 TAAR1 (0.62) TAAR1CHRM2DAOCA12CA1
SCHEMBL8095309 0.86 TAAR1 (0.62) TAAR1CHRM2DAOCA12CA1
SCHEMBL8098051 0.86 TAAR1 (0.62) TAAR1CHRM2DAOCA12CA1
SCHEMBL8086531 0.86 TAAR1 (0.62) TAAR1CHRM2DAOCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140303333-A1 IRON BISPHENOLATE COMPLEXES AND METHODS OF USE AND SYNTHESIS THEREOF UNIV PRINCE EDWARD ISLAND (CA) 2014-10-09 — — US disclosed
US-20140303333-A1 IRON BISPHENOLATE COMPLEXES AND METHODS OF USE AND SYNTHESIS THEREOF UNIV PRINCE EDWARD ISLAND (CA) 2014-10-09 — — US disclosed
EP-1369405-B1 PROCESS FOR PRODUCING 1-CHLORO-4-ARYLBUTANE SUMITOMO CHEMICAL CO (JP) 2007-09-19 — — EP disclosed
US-6861566-B2 Process for producing 1-chloro-4-arylbutane SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-03-01 — — US disclosed
US-20040097763-A1 Process for producing 1-chloro-4-arylbutane SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-05-20 — — US disclosed
EP-1369405-A1 PROCESS FOR PRODUCING 1-CHLORO-4-ARYLBUTANE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-10 — — EP disclosed
EP-0636124-A1 3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1995-02-01 — — EP disclosed
WO-1993021170-A1 3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1993-10-28 — — 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-20140303333-A1 IRON BISPHENOLATE COMPLEXES AND METHODS OF USE AND SYNTHESIS THEREOF TFRC, PCBP1, FECH TAAR1 696/4885MAPT 2515/4885CHRM2 4281/4885
US-20040097763-A1 Process for producing 1-chloro-4-arylbutane CYP1B1, CBR1, CYP1A1 TAAR1 77/4885MAPT 4627/4885CHRM2 1742/4885

“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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