SCHEMBL5329552

SCHEMBL5329552

CCOC(=O)C(Cc1ccccc1C)C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
MMP8 P22894 1/20 0.47
EPHX2 P34913 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PIN1 Q13526 1/20 0.41
MAOB P27338 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 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
SCHEMBL12306711 0.92 TDP1 (0.53) TDP1MMP8EPHX2ALDH1A1TSHR
SCHEMBL6688791 0.86 PPARG (0.49) ALDH1A1PPARGPPARAMEN1KMT2A
SCHEMBL7058718 0.84 TDP1 (0.50) TDP1MMP8EPHX2ALDH1A1TSHR
SCHEMBL6988601 0.84 MMP8 (0.48) TDP1MMP8EPHX2ALDH1A1TSHR
SCHEMBL6587934 0.84 KMT2A (0.47) TDP1MMP8ALDH1A1TSHRSMN1; SMN2
SCHEMBL3344661 0.84 EPHX2 (0.47) TDP1MMP8EPHX2ALDH1A1TSHR
SCHEMBL2426744 0.83 ALDH1A1 (0.46) TDP1MMP8ALDH1A1TSHRSMN1; SMN2
SCHEMBL16342382 0.83 MMP8 (0.43) TDP1MMP8EPHX2ALDH1A1TSHR
SCHEMBL30036768 0.83 ALDH1A1 (0.46) TDP1MMP8ALDH1A1TSHRSMN1; SMN2
SCHEMBL9165065 0.83 PPARG (0.50) ALDH1A1PPARGPPARAKMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0341707-B1 PHENYLETHANOL ESTER OF ORTHO-CINNAMIC ACID, ITS PREPARATION AND USE AS FRAGRANCE COMPOUND Consortium für elektrochemische Industrie GmbH (DE) 1992-09-02 EP claimed
US-7943634-B2 Substituted benzo[4,5]furo[3,2-c]pyridine derivatives as PDE 4 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2011-05-17 US disclosed
US-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-10 US disclosed
WO-2007144625-A1 2-OXO-2H-CHROMENE COMPOUNDS ARGENTA DISCOVERY LIMITED (GB) 2007-12-21 WO disclosed
US-5559272-A Aromatic compounds FIRMENICH S.A. (CH) 1996-09-24 US disclosed
US-5442124-A Process for the preparation of novel aromatic compounds FIRMENICH SA (CH) 1995-08-15 US disclosed
WO-1995000114-A1 TETRALINE® FORMATE ESTER AROMA CHEMICALS UNION CAMP CORPORATION (US) 1995-01-05 WO disclosed
US-5324875-A Musk odor FIRMENICH SA (CH) 1994-06-28 US disclosed
US-5292719-A Perfumes, colognes, soaps and cosmetics; musk aroma UNION CAMP CORPORATION (US) 1994-03-08 US disclosed
US-5185318-A Aromatic compounds, a process for preparation thereof and use of same as perfuming ingredients FIRMENICH S.A. (CH) 1993-02-09 US disclosed
EP-0310745-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE ORION-YHTYMÄ OY (FI) 1993-01-27 EP disclosed
US-5162588-A Muky type odor; colognes, shaving lotions, soaps, bath gels, shampoos, hair care products FIRMENICH S.A. (CH) 1992-11-10 US disclosed
US-5066640-A Perfume with a floral scent CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1991-11-19 US disclosed
EP-0183492-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos-Yhtyma Oy (FI) 1989-11-15 EP disclosed
EP-0310745-A2 Substituted imidazole derivatives and their preparation and use ORION-YHTYMÄ OY (FI) 1989-04-12 EP disclosed
US-4689339-A 4-dihydroinden-2-yl-, 4-tetrahydronaphth-2-yl-, and 4-dihydrobenzofuran-2-ylimidazoles, useful to block α2 -adrenergic receptors FARMOS YHTYMA OY (FI) 1987-08-25 US disclosed
EP-0183492-A1 Substituted imidazole derivatives and their preparation and use Farmos-Yhtyma Oy (FI) 1986-06-04 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 (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-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PTGER4, NOX4, PDE4A TDP1 1450/4885MMP8 41/4885EPHX2 463/4885

“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.