SCHEMBL2528573

SCHEMBL2528573

CC(C)Cc1ccc(CC(=O)Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.53
PTGS2 P35354 4/20 0.53
ALOX5 P09917 3/20 0.53
LMNA P02545 2/20 0.53
CYP2C9 P11712 2/20 0.53
AKR1C3 P42330 2/20 0.53
CXCR1 P25024 2/20 0.53
CXCR2 P25025 2/20 0.53
ALB P02768 1/20 0.53
ESR1 P03372 1/20 0.53
RARB P10826 1/20 0.53
ADRB3 P13945 1/20 0.53
NFKB1 P19838 1/20 0.53
HTR2A P28223 1/20 0.53
NR1I3 Q14994 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
CXCL8 P10145 1/20 0.53
TSHR P16473 1/20 0.53
AKR1C2 P52895 1/20 0.53
BLM P54132 1/20 0.53

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
Methane SCHEMBL3862389 0.98 PTGS1 (0.52) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL4194796 0.82 CA2 (0.46) PTGS1LMNATSHR
SCHEMBL10920074 0.81 SLC7A5 (0.44) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL241137 0.81 POLB (0.58) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL11800587 0.81 PTGS1 (0.55) PTGS1PTGS2ALOX5LMNACYP2C9
Ibufenac SCHEMBL24244 0.81 PTGS1 (0.60) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL10655120 0.80 PTGS2 (0.50) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL1713859 0.79 CNR2 (0.49)
SCHEMBL1966513 0.79 CXCR1 (0.53) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL9797765 0.79 EPHX1 (0.61) PTGS1PTGS2ALOX5LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039501-B2 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2011-10-18 US disclosed
US-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2009-01-29 US disclosed
US-4596880-A Pesticides BAYER AKTIENGESELLSCHAFT (DE) 1986-06-24 US disclosed
US-4438275-A 2,2-DIFLUORO-BENZODIOXOLES BAYER AKTIENGESELLSCHAFT (DE) 1984-03-20 US disclosed
US-4401827-A CARDIOTONIC AND ANTILIPEMIC AGENTS; BLOOD DISORDERS SIGMA-TAU (IT) 1983-08-30 US disclosed
US-4310540-A PYRETHROID-LIKE COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1982-01-12 US disclosed
US-4261920-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-04-14 US disclosed
US-4242357-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-12-30 US disclosed
US-4218469-A Combating arthropods with 3-phenoxy-fluoro-benzyl carboxylic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1980-08-19 US disclosed
US-4199596-A ESTERS, INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-04-22 US disclosed
US-4150137-A ANTIINFLAMMATORY, ANTIPYRETIC, AND ANALGESIC AGENTS HISAMITSU PHARMACEUTICAL CO. INC. (JP) 1979-04-17 US disclosed
US-4075241-A 2-(Aryl)-3-(dimethylamino)butyl-3,4,5-trimethoxybenzoates GRUPPO LEPETIT S.P.A. (IT) 1978-02-21 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-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents HRH1, HRH3, HRH2 PTGS1 51/4885PTGS2 132/4885ALOX5 282/4885

“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.