SCHEMBL1047258

SCHEMBL1047258

COc1cccc(-c2ccc(C)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH3 Q96Q83 1/20 0.65
ABL1 P00519 2/20 0.60
ABCB1 P08183 2/20 0.60
BCR P11274 2/20 0.60
ACHE P22303 2/20 0.59
MAOB P27338 3/20 0.59
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP1A1 P04798 1/20 0.57
CYP2E1 P05181 1/20 0.57
CYP2C8 P10632 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2A6 P11509 1/20 0.57
CYP4B1 P13584 1/20 0.57
CYP2B6 P20813 1/20 0.57
CYP3A5 P20815 1/20 0.57
CYP2A7 P20853 1/20 0.57
CYP3A7 P24462 1/20 0.57

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
SCHEMBL25873212 1.00 ALKBH3 (0.65) ALKBH3ABL1ABCB1BCRACHE
SCHEMBL12871361 0.98 ABL1 (0.63) ALKBH3ABL1ABCB1BCRACHE
SCHEMBL1180343 0.91 ABL1 (0.69) ALKBH3ABL1ABCB1BCRACHE
SCHEMBL12770833 0.91 ALKBH3 (0.57) ALKBH3ABL1ABCB1BCRACHE
SCHEMBL12871360 0.90 ACHE (0.69) ALKBH3ABL1ABCB1BCRACHE
SCHEMBL12871359 0.88 ABL1 (0.71) ALKBH3ABL1ABCB1BCRACHE
SCHEMBL13247865 0.87 ABL1 (0.64) ABL1ABCB1BCRMAOBCYP1A2
SCHEMBL1180412 0.87 ABL1 (0.77) ABL1ABCB1BCRMAOBCYP1A2
SCHEMBL792197 0.87 ABL1 (0.77) ABL1ABCB1BCRMAOBCYP1A2
SCHEMBL196765 0.87 CYP3A4 (0.73) ABL1ABCB1BCRACHEMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150376224-A1 USE OF COMPOSITIONS OBTAINED BY CALCINING PARTICULAR METAL-ACCUMULATING PLANTS FOR IMPLEMENTING CATALYTICAL REACTIONS UNIVERSITE MONTPELLIER 2 SCIENCES ET TECHNIQUES (FR) 2015-12-31 US claimed
EP-2958670-A1 USE OF COMPOSITIONS OBTAINED BY CALCINING PARTICULAR METAL-ACCUMULATING PLANTS FOR IMPLEMENTING CATALYTICAL REACTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2015-12-30 EP claimed
WO-2014128283-A1 USE OF COMPOSITIONS OBTAINED BY CALCINING PARTICULAR METAL-ACCUMULATING PLANTS FOR IMPLEMENTING CATALYTICAL REACTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-08-28 WO claimed
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
WO-2022119756-A9 COMPOSITIONS AND METHODS FOR INHIBITING M PRO PROTEASE ACTIVITY AND FOR PREVENTING AND TREATING SARS-COV-2 INFECTION ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2023-04-27 WO disclosed
WO-2023004240-A1 MACROCYLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-26 WO disclosed
WO-2022119756-A1 COMPOSITIONS AND METHODS FOR INHIBITING M PRO PROTEASE ACTIVITY AND FOR PREVENTING AND TREATING SARS-COV-2 INFECTION ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2022-06-09 WO disclosed
US-11254597-B2 Method for the production of a material of plant origin that is rich in phenolic acids, comprising at least one metal, for carrying out organic synthesis reactions CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-02-22 US disclosed
US-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. 2020-12-17 US disclosed
EP-3674303-A1 NOVEL TRYPTOPHAN HYDROXYLASE INHIBITOR AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Gwangju Institute of Science and Technology (KR) 2020-07-01 EP disclosed
WO-2020047487-A1 METHODS FOR TREATING CANCER WITH RORGAMMA INHIBITORS AND STATINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-03-05 WO disclosed
WO-2003007954-A2 SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 WO disclosed
EP-1279656-A2 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles DSM N.V. (NL) 2003-01-29 EP disclosed
US-6441177-B1 Tertiary amines HOFFMANN-LA ROCHE INC. 2002-08-27 US disclosed
EP-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP disclosed
US-6034275-A FUGICIDES; ATICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-03-07 US disclosed
EP-0766559-A4 CANNABINOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-08-06 EP disclosed
EP-0778264-A1 Tertiary amines having antimycotic and cholesterol lowering activity F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP disclosed
EP-0766559-A1 CANNABINOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-04-09 EP disclosed
WO-1996002248-A1 CANNABINOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-02-01 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 (4 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-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES XDH, PNPO, LOX ALKBH3 1626/4885ABL1 3986/4885ABCB1 2152/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A ALKBH3 730/4885ABL1 1529/4885ABCB1 1038/4885
US-20150376224-A1 USE OF COMPOSITIONS OBTAINED BY CALCINING PARTICULAR METAL-ACCUMULATING PLANTS FOR IMPLEMENTING CATALYTICAL REACTIONS CACYBP, PPA1, IPMK ALKBH3 1430/4885ABL1 2909/4885ABCB1 2706/4885
US-11254597-B2 Method for the production of a material of plant origin that is rich in phenolic acids, comprising at least one metal, for carrying out organic synthesis reactions COMT, VARS1, CROCC ALKBH3 2374/4885ABL1 2558/4885ABCB1 3470/4885

“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.