SCHEMBL2237176

SCHEMBL2237176

C=CCc1ccccc1C(=O)C(C)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.42
ADRB1 P08588 3/20 0.42
LMNA P02545 2/20 0.42
HTR1A P08908 1/20 0.42
ADRB3 P13945 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 1/20 0.42
BDKRB2 P30411 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
KDM4E B2RXH2 5/20 0.41
PMP22 Q01453 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL11362006 0.90 GABRA1 (0.42) ADRB2ADRB1LMNAHTR1AADRB3
SCHEMBL16966282 0.85 ALDH1A1 (0.42) ADRB2ADRB1LMNAHTR1AADRB3
SCHEMBL822012 0.84 CYP2C19 (0.39) ADRB2ADRB1LMNAHTR1AADRB3
SCHEMBL324910 0.81 LMNA (0.47) LMNAKDM4EALDH1A1GABRA1GABRB2
Benzene SCHEMBL28209572 0.81 LMNA (0.47) LMNAKDM4EALDH1A1GABRA1GABRB2
Methoxymethane SCHEMBL11091635 0.79 LMNA (0.42) ADRB2ADRB1LMNAHTR1AADRB3
SCHEMBL3251271 0.79 CYP3A4 (0.47) LMNACYP1A2TSHRKDM4EALDH1A1
SCHEMBL474921 0.78 GABRA1 (0.47) CYP1A2TSHRKDM4EALDH1A1GABRA1
Benzene SCHEMBL27083018 0.78 FOLH1 (0.55) TSHRKDM4EALDH1A1GABRA1GABRB2
SCHEMBL89060 0.78 FOLH1 (0.55) TSHRKDM4EALDH1A1GABRA1GABRB2

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
EP-1590314-B1 2-ARYL-ACETIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPÉ FARMACEUTICI S P A (IT) 2015-08-05 EP disclosed
US-8871784-B2 2-aryl-acetic acids, their derivatives and pharmaceutical compositions containing them DOMPE'S.P.A. (IT) 2014-10-28 US disclosed
US-8648110-B2 2-aryl-acetic acids, their derivatives and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A. (IT) 2014-02-11 US disclosed
US-20110195967-A1 2-ARYL-ACETIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA.R.MA S.P.A. (IT) 2011-08-11 US disclosed
US-20100267726-A1 2-ARYL-ACETIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA.R.MA S.P.A. (IT) 2010-10-21 US disclosed
US-7776909-B2 such as (5-acetyl-1-methyl-1H-pyrrol-2-yl)acetyl methanesulphonamide, used for the of treatment of psoriasis, ulcerative colitis, melanoma, chronic obstructive pulmonary disease (COPD), skin disorders, rheumatoid arthritis, idiopathic fibrosis, glomerulonephritis and reperfusion injuries after ischemia DOMPE PHA.R.MA S.P.A. (IT) 2010-08-17 US disclosed
US-20060223842-A1 such as (5-acetyl-1-methyl-1H-pyrrol-2-yl)acetyl methanesulphonamide, used for the of treatment of psoriasis, ulcerative colitis, melanoma, chronic obstructive pulmonary disease (COPD), skin disorders, rheumatoid arthritis, idiopathic fibrosis, glomerulonephritis and reperfusion injuries after ischemia DOMPÉ FARMACEUTICI S.P.A. (IT) 2006-10-05 US disclosed
EP-1590314-A2 2-ARYL-ACETIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompe' S.P.A. (IT) 2005-11-02 EP disclosed
WO-2004069782-A2 2-ARYL-ACETIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' S.P.A. (IT) 2004-08-19 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 (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-20100267726-A1 2-ARYL-ACETIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CXCR2, MMP8, CXCR1 ADRB2 121/4885ADRB1 202/4885LMNA 4305/4885
US-20110195967-A1 2-ARYL-ACETIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CXCR2, MMP8, CXCR1 ADRB2 120/4885ADRB1 203/4885LMNA 4292/4885
US-20060223842-A1 such as (5-acetyl-1-methyl-1H-pyrrol-2-yl)acetyl methanesulphonamide, used for the of treatment of psoriasis, ulcerative colitis, melanoma, chronic obstructive pulmonary disease (COPD), skin disorders, rheumatoid arthritis, idiopathic fibrosis, glomerulonephritis and reperfusion injuries after ischemia CXCR2, CXCR1, MMP8 ADRB2 685/4885ADRB1 677/4885LMNA 4407/4885

“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.