SCHEMBL57754

SCHEMBL57754

CC([O])Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
GAA P10253 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
CYP2C19 P33261 1/20 0.45
CA4 P22748 1/20 0.43
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
LTA4H P09960 1/20 0.41
TSHR P16473 1/20 0.41
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
ADRA2A P08913 1/20 0.40

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
SCHEMBL8014349 0.81 KDM4E (0.42) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL9541523 0.80 MTNR1A (0.43) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL7417657 0.80 MTNR1A (0.43) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL2020254 0.79 CA4 (0.43) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL10816359 0.78 LTA4H (0.45) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL1453272 0.78 CA4 (0.48) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL542873 0.78 KDM4E (0.50) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL12394 0.78 KMT2A (0.54) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL6516593 0.77 ACHE (0.46) KMT2ALMNAMEN1ALDH1A1TSHR
SCHEMBL5697814 0.77 CA1 (0.55) MTNR1AMTNR1BGAAPKMKDM4E

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 1078 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113620945-A RET inhibitor, pharmaceutical composition thereof and application thereof in medicines 广东东阳光药业有限公司 2021-11-09 CN claimed
CN-113620944-A Novel RET inhibitors, pharmaceutical compositions thereof and uses thereof 广东东阳光药业有限公司 2021-11-09 CN claimed
WO-2013175281-A1 USE OF SUBSTITUTED 2-PHENYL-3H-QUINAZOLIN-4-ONES AND ANALOGS FOR INHIBITING BROMODOMAIN AND EXTRA TERMINAL DOMAIN (BET) PROTEINS RVX THERAPEUTICS INC. (CA) 2013-11-28 WO claimed
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US claimed
WO-2012176123-A1 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2012-12-27 WO claimed
EP-2408454-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-01-25 EP claimed
US-7829585-B2 Antifungal agent containing pyridine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-09 US claimed
WO-2010106436-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-09-23 WO claimed
WO-2009140215-A2 METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS GERAGHTY, ERIN (US) 2009-11-19 WO claimed
US-20090227585-A1 SUBSTITUTED N-HETEROCYCLE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2009-09-10 US claimed
EP-0023601-A1 Process for dyeing and printing textile material containing cellulose BASF Aktiengesellschaft (DE) 1981-02-11 EP claimed
EP-0023315-A1 Processes for dyeing and printing textile material containing cellulose BASF Aktiengesellschaft (DE) 1981-02-04 EP claimed
EP-0023309-A1 Disazo dyestuffs of the aminopyridine or aminopyrimidine series and their use in dyeing textile material containing cellulose BASF Aktiengesellschaft (DE) 1981-02-04 EP claimed
US-4239894-A DYES FOR SYNTHETIC AND NATURAL FIBERS BASF AKTIENGESELLSCHAFT (DE) 1980-12-16 US claimed
EP-0009191-A1 Water-insoluble disazodyestuffs, their preparation and application CASSELLA Aktiengesellschaft (DE) 1980-04-02 EP claimed
US-4140684-A FOR POLYESTERS, POLYAMIDES, AND CELLULOSE ACETATES FIDELITY UNION TRUST COMPANY, EXECUTIVE TRUSTEE UNDER THE SANDOZ TRUST (US) 1979-02-20 US claimed
US-4128545-A DISPERSE, POLYESTER BASF AKTIENGESELLSCHAFT (DE) 1978-12-05 US claimed
US-4113720-A Disperse azo dye with diaminopyrimidine coupling component BASF AKTIENGESELLSCHAFT (DE) 1978-09-12 US claimed
US-4011320-A PESTICIDES, FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1977-03-08 US claimed
US-3950321-A POLYESTERS BASF AKTIENGESELLSCHAFT (DT) 1976-04-13 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 (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-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 MTNR1A 874/4885MTNR1B 1337/4885GAA 1418/4885
US-20090227585-A1 SUBSTITUTED N-HETEROCYCLE DERIVATIVES AND METHODS OF THEIR USE MAOA, MAOB, SDHA MTNR1A 279/4885MTNR1B 397/4885GAA 1200/4885

“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.