SCHEMBL9620296

SCHEMBL9620296

Cc1c(C(F)(F)F)n(Cc2ccccc2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.50
MAPK1 P28482 3/20 0.50
P2RX4 Q99571 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PTGES2 Q9H7Z7 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
PLA2G2A P14555 1/20 0.45
TNF P01375 1/20 0.43

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
SCHEMBL24611516 0.82 ALDH1A1 (0.49) MAPK1MEN1KMT2AALDH1A1KDM4E
SCHEMBL28840669 0.81 CYP19A1 (0.56) CYP19A1SMN1; SMN2MAPK1P2RX4MEN1
SCHEMBL9620291 0.81 CYP19A1 (0.56) CYP19A1SMN1; SMN2MAPK1P2RX4MEN1
SCHEMBL29246608 0.79 GAA (0.49) CYP19A1SMN1; SMN2MAPK1P2RX4MEN1
SCHEMBL10493548 0.79 CYP19A1 (0.53) CYP19A1SMN1; SMN2MAPK1P2RX4MEN1
SCHEMBL11289374 0.78 CYP19A1 (0.66) CYP19A1SMN1; SMN2MAPK1P2RX4MEN1
SCHEMBL10493566 0.78 LMNA (0.54) CYP19A1SMN1; SMN2MAPK1P2RX4MEN1
SCHEMBL9620085 0.77 MEN1 (0.44) SMN1; SMN2MEN1KMT2APTGES2ALDH1A1
SCHEMBL27959994 0.74 CYP19A1 (0.59) CYP19A1SMN1; SMN2MAPK1P2RX4MEN1
SCHEMBL151053 0.73 CYP19A1 (1.00) CYP19A1SMN1; SMN2MAPK1P2RX4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306654-A1 MECHANOREDOX REACTION USING PIEZOELECTRIC MATERIAL, AND PRODUCTION METHOD USING SAID REACTION NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2022-09-29 US disclosed
EP-4026821-A1 MECHANOREDOX REACTION USING PIEZOELECTRIC MATERIAL, AND PRODUCTION METHOD USING SAID REACTION National University Corporation Hokkaido University (JP) 2022-07-13 EP disclosed
EP-0261035-B1 INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE IN COMBATING PARASITES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1992-03-11 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 (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-20220306654-A1 MECHANOREDOX REACTION USING PIEZOELECTRIC MATERIAL, AND PRODUCTION METHOD USING SAID REACTION PIEZO1, PPOX, TAOK1 CYP19A1 2223/4885SMN1; SMN2 4504/4885MAPK1 947/4885

“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.