SCHEMBL5018760

SCHEMBL5018760

CCOc1ccc(CC(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.61
ACACB O00763 11/20 0.50
SIGMAR1 Q99720 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 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
SCHEMBL25146399 0.94 NQO1 (0.54) NQO1ACACBSIGMAR1TSHRTDP1
SCHEMBL25443770 0.84 TDP1 (0.48) ACACBSIGMAR1TDP1
SCHEMBL13003915 0.83 NQO1 (0.56) NQO1ACACBSIGMAR1TSHRTDP1
SCHEMBL16845224 0.83 NQO1 (0.56) NQO1ACACB
SCHEMBL5018832 0.83 KDM4E (0.53) ACACBTSHR
SCHEMBL13889410 0.83 LMNA (0.54) ACACB
SCHEMBL2553015 0.83 SLC6A4 (0.66) NQO1
SCHEMBL24973088 0.83 NQO1 (0.56) NQO1ACACBSIGMAR1TSHRTDP1
SCHEMBL2553013 0.83 SLC6A4 (0.66) NQO1
SCHEMBL15307617 0.83 SLC2A1 (0.49) ACACBTDP1

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5462923-A For imparting aroma to, or augmenting or enhancing aroma of, various consumable materials INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1995-10-31 US claimed
US-20240217995-A1 COMPOSITIONS FOR CHEMICAL SYNTHESIS OF PEPTIDES SEDERMA (FR) 2024-07-04 US disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
US-20210147484-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2021-05-20 US disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 US disclosed
CN-105793039-B Surface protective film 三菱化学株式会社 2019-09-06 CN disclosed
US-20190241615-A1 CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS UNIVERSITY OF ROCHESTER 2019-08-08 US disclosed
EP-3072875-B1 ORGANOLEPTIC COMPOUNDS INT FLAVORS & FRAGRANCES INC (US) 2018-06-13 EP disclosed
EP-3072875-B1 ORGANOLEPTIC COMPOUNDS INT FLAVORS & FRAGRANCES INC (US) 2018-06-13 EP disclosed
CN-103571354-B Pressure-sensitive adhesive sheet, electrically or electronically bulking block laminate and optical member laminate 日东电工株式会社 2018-05-04 CN disclosed
US-5358949-A Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-25 US disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed
US-5266577-A Method of treating congestive heart failure using carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY LTD. (JP) 1993-11-30 US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
US-5198448-A Cardiovascular disorders OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1993-03-30 US disclosed
EP-0531548-A1 Carbostyril derivatives as anti-thrombotic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-17 EP disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 EP disclosed
US-5053514-A Side effect reduction; carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed
EP-0355583-A2 Cardiotonics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed
EP-0236140-A2 Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-09 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 (5 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-20190241615-A1 CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS SHH, SMO, DACH1 NQO1 4871/4885ACACB 4327/4885SIGMAR1 4152/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP NQO1 36/4885ACACB 3209/4885SIGMAR1 4583/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP NQO1 36/4885ACACB 3209/4885SIGMAR1 4583/4885
US-20210147484-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID NQO1 4173/4885ACACB 3551/4885SIGMAR1 1240/4885
US-20240217995-A1 COMPOSITIONS FOR CHEMICAL SYNTHESIS OF PEPTIDES PTMS, DNPEP, ANPEP NQO1 4729/4885ACACB 2745/4885SIGMAR1 3988/4885

“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.