SCHEMBL1875162

SCHEMBL1875162

COC=CC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.59
RECQL P46063 2/20 0.55
MAPT P10636 5/20 0.54
BCHE P06276 4/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
LMNA P02545 3/20 0.54
CYP3A4 P08684 2/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
TNFRSF1A P19438 2/20 0.53
MAOB P27338 2/20 0.53
CYP1B1 Q16678 2/20 0.53
PLIN1 O60240 2/20 0.53
PLIN5 Q00G26 2/20 0.53
ABHD5 Q8WTS1 2/20 0.53
ACHE P22303 1/20 0.53
ALDH1A1 P00352 5/20 0.50
HPGD P15428 2/20 0.50

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
SCHEMBL11882381 1.00 AKT1 (0.59) AKT1RECQLMAPTBCHENPC1
SCHEMBL7529869 1.00 AKT1 (0.59) AKT1RECQLMAPTBCHENPC1
SCHEMBL8974384 0.83 MAPT (0.57) AKT1RECQLMAPTBCHENPC1
SCHEMBL15486166 0.80 RECQL (0.52) AKT1RECQLMAPTBCHENPC1
SCHEMBL11034232 0.80 CA1 (0.53) MAPTBCHENPC1RAB9ALMNA
SCHEMBL27466400 0.80 F3 (0.66) MAPTBCHENPC1RAB9ALMNA
SCHEMBL8312374 0.80 CYP1A2 (0.58) MAPTNPC1RAB9ATNFRSF1AMAOB
SCHEMBL6443181 0.80 CYP1A2 (0.58) MAPTNPC1RAB9ATNFRSF1AMAOB
SCHEMBL7028240 0.79 MAOB (0.68) NPC1RAB9AMAOBALDH1A1SMN1; SMN2
SCHEMBL2954318 0.79 MAPT (0.70) AKT1RECQLMAPTBCHENPC1

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
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 US disclosed
US-7939674-B2 Process for producing an aromatic unsaturated compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-10 US disclosed
US-7700642-B2 Process for producing an aromatic unsaturated compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-20 US disclosed
US-20090137822-A1 Process for preparing 3-substituted thiophene UBE INDUSTRIES, LTD. (JP) 2009-05-28 US disclosed
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20080221337-A1 Process for Producing an Aromatic Unsaturated Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-11 US disclosed
EP-1666440-A1 METHOD FOR PRODUCING AROMATIC UNSATURATED COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-06-07 EP disclosed
US-20020198384-A1 Thienopyridine derivatives, their intermediates and production thereof MIKI SHOKYO (JP) 2002-12-26 US disclosed
US-6437132-B2 INHIBITOR OF GONADOTROPIN RELEASING HORMONE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-20 US disclosed
US-20020019529-A1 Thienopyridine derivatives, their intermediates and production thereof MIKI SHOKYO (JP) 2002-02-14 US disclosed
US-6313301-B1 CYCLIZATION; LUTEINIZING HORMONE RELEASING HORMONE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-11-06 US disclosed
EP-1004585-A1 THIENOPYRIDINE DERIVATIVES, INTERMEDIATES THEREOF, AND PROCESS FOR PRODUCING THE BOTH Takeda Chemical Industries, Ltd. (JP) 2000-05-31 EP disclosed
US-4236005-A ANTIANXIETY AMERICAN CYANAMID COMPANY (US) 1980-11-25 US disclosed
US-4209621-A TRANQUILIZERS AMERICAN CYANAMID COMPANY (US) 1980-06-24 US disclosed
US-4178449-A Pyrazolo[1,5-a]pyrimidines and imidazo-[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1979-12-11 US disclosed
US-3957817-A BRIGHTENERS BAYER AKTIENGESELLSCHAFT (DT) 1976-05-18 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 (6 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-20080221337-A1 Process for Producing an Aromatic Unsaturated Compound AHR, AR, ARSA AKT1 3704/4885RECQL 3376/4885MAPT 4307/4885
US-20020198384-A1 Thienopyridine derivatives, their intermediates and production thereof GNRHR, KISS1R, CYP19A1 AKT1 4647/4885RECQL 4144/4885MAPT 2641/4885
US-20020019529-A1 Thienopyridine derivatives, their intermediates and production thereof GNRHR, KISS1R, CYP19A1 AKT1 4647/4885RECQL 4144/4885MAPT 2641/4885
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND AHR, AR, ARSA AKT1 3704/4885RECQL 3376/4885MAPT 4307/4885
US-20090137822-A1 Process for preparing 3-substituted thiophene TMT1A, CTH, CBR1 AKT1 2204/4885RECQL 3733/4885MAPT 4195/4885
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME ARGLU1, F12, CDKL1 AKT1 1984/4885RECQL 250/4885MAPT 2501/4885

“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.