SCHEMBL20495165

SCHEMBL20495165

Fc1ccc(-c2cc(C(F)(F)F)c3[nH]c(C(Cl)(Cl)Cl)nc3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.36
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TRPA1 O75762 2/20 0.33
▸ MDM2 Q00987 1/20 0.32
▸ PDE3B Q13370 3/20 0.32
▸ PDE3A Q14432 3/20 0.32
▸ ACHE P22303 1/20 0.32
▸ NOTUM Q6P988 2/20 0.32
▸ PKM P14618 1/20 0.31
▸ PTGES O14684 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL20495249 0.89 S1PR1 (0.39) RXRARXRBRXRGS1PR1KDM4E
SCHEMBL20494844 0.83 GCGR (0.33) KDM4EKMT2ARAB9A
SCHEMBL21973179 0.79 RXRA (0.40) TRPV1RXRARXRBRXRGS1PR1
SCHEMBL21906383 0.76 RXRA (0.43) TRPV1RXRARXRBRXRGS1PR1
SCHEMBL2319832 0.76 CSNK2A1 (0.33) KDM4EMAPTKMT2APTGES
SCHEMBL20495250 0.71 ALDH1A1 (0.33) RXRARXRBRXRGS1PR1ALDH1A1
SCHEMBL20495123 0.69 GUSB (0.36) TRPV1KDM4EALDH1A1MAPTKMT2A
SCHEMBL5774712 0.68 MEN1 (0.33) KMT2A
SCHEMBL20494892 0.68 DGAT1 (0.42) KDM4EALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL31569342 0.67 AR (0.33) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180459-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-11-23 — — US disclosed
US-11180459-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-11-23 — — US disclosed
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2020-05-07 — — US disclosed
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2020-05-07 — — US disclosed
WO-2018165612-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-09-13 — — 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 (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-11180459-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 TRPV1 1692/4885RXRA 3683/4885RXRB 3299/4885
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 TRPV1 1692/4885RXRA 3683/4885RXRB 3299/4885

“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.

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