SCHEMBL533719

SCHEMBL533719

COc1cccc(-c2cc[c]cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.55
CYP1A1 P04798 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2E1 P05181 1/20 0.55
CYP2C8 P10632 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2A6 P11509 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP4B1 P13584 1/20 0.55
CYP2B6 P20813 1/20 0.55
CYP3A5 P20815 1/20 0.55
CYP2A7 P20853 1/20 0.55
CYP3A7 P24462 1/20 0.55
CYP2F1 P24903 1/20 0.55
CYP2C18 P33260 1/20 0.55
CYP2C19 P33261 1/20 0.55
CYP2J2 P51589 1/20 0.55
CYP4F2 P78329 1/20 0.55
CYP4F8 P98187 1/20 0.55
CYP4A11 Q02928 1/20 0.55

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
SCHEMBL22127721 0.98 ABL1 (0.56) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL1180343 0.85 ABL1 (0.69) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL29489425 0.85 CYP3A4 (0.73) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL196765 0.85 CYP3A4 (0.73) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL458391 0.83 CYP1A1 (0.64) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL29740761 0.83 CYP1A1 (0.64) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
Ammonia Solution, Strong SCHEMBL27960505 0.83 CYP3A4 (0.70) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
Hydrogen Sulfide SCHEMBL28640169 0.83 CYP3A4 (0.70) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL29628977 0.83 CYP3A4 (0.77) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL2753072 0.81 ABL1 (0.57) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111533697-B 4-aminopyridazinone compound and preparation method thereof 成都大学 2023-03-31 CN claimed
CN-115385956-A Biaryl diphosphine ligands and transition metal complexes thereof 东莞市均成高新材料有限公司 2022-11-25 CN claimed
CN-110357989-A Tertiary amine photosensitizer, preparation method, comprising its photosensitive polymer combination and photosensitive polymer combination application 常州强力电子新材料股份有限公司 2019-10-22 CN claimed
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US claimed
WO-2017078927-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-05-11 WO claimed
EP-3116851-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING Salk Institute for Biological Studies (US) 2017-01-18 EP claimed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP claimed
WO-2015138969-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2015-09-17 WO claimed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP claimed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US claimed
WO-2003051879-A1 KNOWN AND NOVEL 4,5-DIHYDRO-IMIDAZO[4,5,1-IJ]QUINOLIN-6-ONES USEFUL AS POLY(ADP-RIBOSE)POLYMERASE INHIBITORS ALTANA PHARMA AG (DE) 2003-06-26 WO claimed
US-20030109517-A1 Azacycloalkanone serine protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-06-12 US claimed
US-6469029-B1 INHIBITORS OF THROMBIN PRODUCTION VIA FACTOR XA INHIBITION; COUPLED TO MEDICAL DEVICES, SUCH AS STENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-10-22 US claimed
CN-1373755-A Azacycloalkanone serine protease inhibitors DIMENSIONAL PHARM INC (US) 2002-10-09 CN claimed
EP-1212300-A1 AZACYCLOALKANONE SERINE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-06-12 EP claimed
WO-2001019795-A1 AZACYCLOALKANONE SERINE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
US-6090841-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 2000-07-18 US claimed
EP-0589018-A1 AMINES AS INHIBITORS OF SQUALENE SYNTHASE ZENECA LIMITED (GB) 1994-03-30 EP claimed
WO-1993020807-A1 AMINES AS INHIBITORS OF SQUALENE SYNTHASE ZENECA LIMITED (GB) 1993-10-28 WO claimed
US-5223640-A Regioselectively silylcarbonylating arylacetylene, oxidizing, desilylating, hydrogenating HOECHST CELANESE CORPORATION (US) 1993-06-29 US claimed

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-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis LIPA, MGLL, PNLIP CYP3A4 1609/4885CYP1A1 1751/4885CYP1A2 878/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 CYP3A4 1198/4885CYP1A1 299/4885CYP1A2 159/4885
US-20030109517-A1 Azacycloalkanone serine protease inhibitors CTRL, SERPINE1, SERPINB1 CYP3A4 1924/4885CYP1A1 753/4885CYP1A2 1867/4885

“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.