SCHEMBL112270

SCHEMBL112270

OCc1cccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
BCHE P06276 1/20 0.43
RIPK1 Q13546 1/20 0.41
GAA P10253 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
CXCR2 P25025 2/20 0.38
CHRM1 P11229 2/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
IDO1 P14902 2/20 0.37
AKR1B1 P15121 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
AURKA O14965 1/20 0.36
PDPK1 O15530 1/20 0.36
RPS6KB1 P23443 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNN4 O15554 1/20 0.36

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
SCHEMBL16961227 0.87 APOBEC3G (0.44) GAATAAR1APOBEC3GPDCD1CD274
SCHEMBL13824120 0.87 NR4A2 (0.43) CES2CES1BCHERIPK1TAAR1
SCHEMBL29471378 0.81 TAAR1 (0.41) CES2CES1BCHERIPK1GAA
SCHEMBL2339012 0.81 TAAR1 (0.41) CES2CES1BCHERIPK1GAA
SCHEMBL15900707 0.81 CES2 (0.40) CES2CES1BCHERIPK1GAA
SCHEMBL19923153 0.80 PDCD1 (0.47) APOBEC3GPDCD1CD274KCNN4
SCHEMBL2957481 0.80 CES2 (0.43) CES2CES1BCHERIPK1GAA
SCHEMBL20465748 0.79
SCHEMBL98875 0.79
SCHEMBL7052559 0.79 TAAR1 (0.48) CES2CES1BCHERIPK1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107988220-B Plasmid containing functional gene capable of degrading 4-aminoquinoline 北京师范大学 2021-05-28 CN claimed
CN-112574170-A Dibenzo seven-membered ring derivative and preparation method and application thereof 江西东邦药业有限公司 2021-03-30 CN claimed
CN-211436624-U Centrifugal machine for difluorobenzyl alcohol production 江西犇牛医药化工有限公司 2020-09-08 CN claimed
CN-211371756-U PH meter is used in difluorobenzyl alcohol production laboratory 江西犇牛医药化工有限公司 2020-08-28 CN claimed
CN-211086157-U Melting point instrument for preparing difluorobenzyl alcohol compound 江西犇牛医药化工有限公司 2020-07-24 CN claimed
CN-111303179-A Synthesis of norcantharidin carboxylic acid difluoro benzyl ester and anti-tumor application thereof 遵义医科大学 2020-06-19 CN claimed
CN-109810572-A Inorganic nano material prints ink and its preparation method and application 深圳TCL工业研究院有限公司 2019-05-28 CN claimed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
US-8569087-B2 Method for manufacturing organic electronic element KONICA MINOLTA HOLDINGS, INC. (JP) 2013-10-29 US claimed
EP-1115693-B9 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO CO (US) 2007-12-19 EP claimed
WO-2001077097-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 WO claimed
WO-2001077079-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 WO claimed
WO-2001068605-A1 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED BENZENES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-09-20 WO claimed
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2001-08-30 US claimed
EP-1115695-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(N+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
EP-1115694-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC (TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
WO-2000018724-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(n+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
WO-2000018723-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO 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 (1 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-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP CES2 287/4885CES1 32/4885BCHE 1020/4885

“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.