SCHEMBL2736160

SCHEMBL2736160

CC(C)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.61
SIGMAR1 Q99720 1/20 0.60
MAOB P27338 4/20 0.58
MAOA P21397 2/20 0.58
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
PTGS1 P23219 1/20 0.58
SLC6A2 P23975 1/20 0.58
CYP2C19 P33261 1/20 0.58
PTGS2 P35354 1/20 0.58
SLC6A3 Q01959 1/20 0.58
HIF1A Q16665 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
BCHE P06276 2/20 0.58
PPARG P37231 2/20 0.56
PPARA Q07869 2/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL11602141 0.86 LTA4H (0.58) LTA4HSIGMAR1MAOBMAOALMNA
SCHEMBL9636060 0.86 LTA4H (0.58) LTA4HSIGMAR1MAOBMAOALMNA
SCHEMBL2750286 0.86 LTA4H (0.67) LTA4HSIGMAR1MAOBMAOASLC6A2
SCHEMBL9637755 0.86 MAOB (0.59) LTA4HSIGMAR1MAOBMAOALMNA
SCHEMBL12532788 0.86 LTA4H (0.67) LTA4HSIGMAR1MAOBMAOASLC6A2
SCHEMBL2750285 0.86 LTA4H (0.67) LTA4HSIGMAR1MAOBMAOASLC6A2
SCHEMBL14491817 0.85 MAOB (0.56) LTA4HSIGMAR1MAOBPPARAMAPT
Hydrochloric Acid SCHEMBL9021063 0.84 MAOB (0.67) LTA4HSIGMAR1MAOBMAOASLC6A2
SCHEMBL12585105 0.84 MAOB (0.61) MAOBMAOASLC6A2SLC6A3RAB9A
Ammonia Solution, Strong SCHEMBL8865735 0.83 BCHE (0.65) LTA4HSIGMAR1MAOBMAOALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3400229-B1 18/19F-LABELLED COMPOUNDS WHICH TARGET THE PROSTATE SPECIFIC MEMBRANE ANTIGEN PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2024-03-06 EP disclosed
US-11779663-B2 Specific conjugation linkers, specific immunoconjugates thereof, methods of making and uses such conjugates thereof HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-10-10 US disclosed
US-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-04-20 US disclosed
US-20210139479-A1 COMT Inhibiting Methods and Compositions LIEBER INST INC (US) 2021-05-13 US disclosed
US-10934283-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE, INC. (US) 2021-03-02 US disclosed
US-10882871-B2 18/19F-labelled compounds which target the prostate specific membrane antigen BRITISH COLUMBIA CANCER AGENCY BRANCH 2021-01-05 US disclosed
US-10745384-B2 Indazole derivatives as αv integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 US disclosed
US-20180221348-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2018-08-09 US disclosed
US-20180221348-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2018-08-09 US disclosed
US-9891239-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2018-02-13 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 US disclosed
US-7291623-B2 Compounds that interact with kinases ALCHEMIA LIMITED (AU) 2007-11-06 US disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 US disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-7223881-B2 Process for the preparation of new antidiabetic agents DR. REDDY'S LABORATORIES LIMITED (IN) 2007-05-29 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 US disclosed
EP-0519353-B1 Indolizin derivatives, process for their preparation and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO (JP) 2000-08-16 EP disclosed
US-5334716-A Preventing testosteron 5a-reductase mediated diseases; alopecia, acne, prostatism FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-08-02 US disclosed
EP-0519353-A2 Indolizin derivatives, process for their preparation and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-12-23 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 (9 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-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV LTA4H 547/4885SIGMAR1 1425/4885MAOB 2947/4885
US-10882871-B2 18/19F-labelled compounds which target the prostate specific membrane antigen KLK3, FOLH1, FOLR1 LTA4H 3355/4885SIGMAR1 4522/4885MAOB 1168/4885
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C LTA4H 906/4885SIGMAR1 70/4885MAOB 902/4885
US-20210139479-A1 COMT Inhibiting Methods and Compositions COMT, PNMT, HNMT LTA4H 2704/4885SIGMAR1 2412/4885MAOB 5/4885
US-20180221348-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 LTA4H 1980/4885SIGMAR1 796/4885MAOB 2503/4885
US-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF PPID, PPIF, PPIL1 LTA4H 1559/4885SIGMAR1 1594/4885MAOB 838/4885
US-11779663-B2 Specific conjugation linkers, specific immunoconjugates thereof, methods of making and uses such conjugates thereof SLC25A1, GCDH, FH LTA4H 2561/4885SIGMAR1 4842/4885MAOB 2859/4885
US-10934283-B2 COMT inhibiting methods and compositions COMT, MAOB, MAOA LTA4H 3196/4885SIGMAR1 1225/4885MAOB 2/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA LTA4H 3219/4885SIGMAR1 601/4885MAOB 253/4885

“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.