SCHEMBL7750

SCHEMBL7750

COc1ccc2cc(C)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.65
CYP1A2 P05177 3/20 0.65
ACHE P22303 2/20 0.59
FLT3 P36888 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
HSD17B1 P14061 1/20 0.54
HSD17B2 P37059 1/20 0.54
RELA Q04206 2/20 0.52
KDM4E B2RXH2 1/20 0.50
GSTP1 P09211 1/20 0.50
AXL P30530 1/20 0.50
NCF1 P14598 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL806296 0.95 CYP2A6 (0.64) CYP2A6CYP1A2ACHEFLT3TDP1
SCHEMBL12357268 0.95 CYP2A6 (0.59) CYP2A6CYP1A2ACHEFLT3TDP1
SCHEMBL15869806 0.91 CYP2A6 (0.54) CYP2A6CYP1A2ACHEFLT3TDP1
SCHEMBL12031848 0.91 HSD17B1 (0.68) CYP2A6CYP1A2ACHEFLT3HSD17B1
SCHEMBL26710972 0.89 CYP2A6 (0.52) CYP2A6CYP1A2ACHEFLT3TDP1
SCHEMBL29447161 0.87 CYP1A2 (0.79) CYP2A6CYP1A2HSD17B1HSD17B2KDM4E
SCHEMBL443070 0.87 CYP1A2 (0.79) CYP2A6CYP1A2HSD17B1HSD17B2KDM4E
Hydrochloric Acid SCHEMBL9590959 0.86 CYP2A6 (0.58) CYP2A6CYP1A2ACHEFLT3HSD17B1
SCHEMBL10299553 0.84 ACHE (0.58) CYP2A6CYP1A2ACHETDP1HSD17B1
SCHEMBL12337061 0.82 HSD17B1 (0.68) CYP2A6CYP1A2ACHEHSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003075913-A1 TOPICAL COMPOSTIONS COMPRISING FURFURYL DERIVATIVES AND THEIR USE FOR THE TREATMENT OF DERMATOLOGIC DISORDERS GHISALBERTI CARLO (BR) 2003-09-18 WO claimed
EP-0322068-B1 DERIVATIVES OF THIAZOLIDINE-4-CARBOXYLIC ACID HAVING PHARMACOLOGICAL ACTIVITY ZAMBON GROUP S.p.A. (IT) 1993-07-28 EP claimed
EP-0254354-B1 PHARMACEUTICALLY USEFUL DERIVATIVES OF THIAZOLIDINE-4-CARBOXYLIC ACID ZAMBON S.p.A. (IT) 1993-03-31 EP claimed
US-5068458-A Chemical process for halogenating 2-methyl-6-methoxynaphthalene BEECHAM GROUP P.L.C. (GB) 1991-11-26 US claimed
EP-0415524-A1 Process for the production of 2-halomethyl-6-methoxy naphthalene Beecham Group p.l.c. (GB) 1991-03-06 EP claimed
US-4952596-A Derivatives of thiazolidine-4-carboxylic acid having pharmacological activity ZAMBON S.P.A. (IT) 1990-08-28 US claimed
US-4354974-A Clavudienes BEECHAM GROUP LIMITED (GB) 1982-10-19 US claimed
JP-3038540-A None JP disclosed
US-20240024266-A1 Therapeutic Agent or Prophylactic Agent for COVID-19 HIROSHIMA UNIVERSITY (JP) 2024-01-25 US disclosed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
WO-2023214325-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND USES THEREOF AS TET2 INHIBITORS NOVARTIS AG (CH) 2023-11-09 WO disclosed
WO-2023142996-A1 METHOD FOR PREVENTING OR TREATING DISEASE OR DISORDER ASSOCIATED WITH ANTINEOPLASTIC AGENT 上海岸阔医药科技有限公司 2023-08-03 WO disclosed
EP-0415524-A1 Process for the production of 2-halomethyl-6-methoxy naphthalene Beecham Group p.l.c. (GB) 1991-03-06 EP disclosed
EP-0415524-A1 Process for the production of 2-halomethyl-6-methoxy naphthalene Beecham Group p.l.c. (GB) 1991-03-06 EP disclosed
JP-H0338540-A CHEMICAL PROCESS BEECHAM GROUP PLC 1991-02-19 JP disclosed
US-4952596-A Derivatives of thiazolidine-4-carboxylic acid having pharmacological activity ZAMBON S.P.A. (IT) 1990-08-28 US disclosed
US-4276305-A INSECTICIDES, MITICIDES HOFFMANN-LA ROCHE INC. (US) 1981-06-30 US disclosed
US-4140764-A ISOCLAVULANIC ACID OR SALT, OXAPENICILLINS IN COMBINATION WITH PENCILLINS OR CEPHALOSPORINS BEECHAM GROUP LIMITED (GB) 1979-02-20 US disclosed
US-4123540-A Isoclavulanic acid as an antibacterial and a β-lactamase inhibitor BEECHAM GROUP LIMITED (GB) 1978-10-31 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 (2 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-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A CYP2A6 3540/4885CYP1A2 2024/4885ACHE 3993/4885
US-20240024266-A1 Therapeutic Agent or Prophylactic Agent for COVID-19 PIN1, ACE2, ACE CYP2A6 3671/4885CYP1A2 4049/4885ACHE 1618/4885

“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.