SCHEMBL9074271

SCHEMBL9074271

CCc1ccc(-c2ccc(C(C)(F)F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KIF11 P52732 8/20 0.39
EGFR P00533 1/20 0.38
UCHL1 P09936 1/20 0.38
TP53 P04637 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
LMNA P02545 1/20 0.36
METAP2 P50579 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
TAOK3 Q9H2K8 1/20 0.36
CYP2A6 P11509 1/20 0.35

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
SCHEMBL11932056 0.93 TP53 (0.42) NPC1CYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL1687449 0.84 MAOB (0.57) MAOBKIF11TAAR1
SCHEMBL9075469 0.83 MAOB (0.47) MAOBNPC1RAB9AKIF11TAAR1
SCHEMBL24594088 0.83 MAOB (0.41) MAOBNPC1CYP1A2CYP2C19RAB9A
SCHEMBL18643754 0.82 KIF11 (0.52) NPC1RAB9AKIF11EGFRTP53
SCHEMBL9074940 0.80 RARB (0.50) MAOBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL13974830 0.80 EGFR (0.44) NPC1CYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL8430356 0.79 TP53 (0.42) NPC1CYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL8990814 0.79 MAOB (0.61) MAOBKIF11TAAR1
SCHEMBL9074966 0.79 RARB (0.51) RAB9ASMN1; SMN2EGFRTP53LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233889-B1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS SHANGHAI MICURX PHARMACEUTICAL CO LTD (CN) 2022-07-06 EP disclosed
CN-109704914-A A kind of facile syntheesis new method of 1,1- bis-fluoro ethyls aromatic compound 山东理工大学 2019-05-03 CN disclosed
US-9771394-B2 Antimicrobial polymyxins for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2017-09-26 US disclosed
US-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. 2016-06-30 US disclosed
EP-0465621-B1 PARTIALLY FLUORINATED COMPOUNDS MERCK PATENT GMBH (DE) 1996-11-13 EP disclosed
WO-1991011418-A1 PARTIALLY FLUORINATED COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-08-08 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 (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-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS VIP, AQP1, PEF1 MAOB 3655/4885NPC1 1223/4885CYP1A2 4501/4885

“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.