SCHEMBL19250102

SCHEMBL19250102

Cc1ccc(OCC(F)F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.44
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MGLL Q99685 1/20 0.36
ABHD6 Q9BV23 1/20 0.36
RAB9A P51151 1/20 0.35
KDM1A O60341 1/20 0.35
FFAR1 O14842 1/20 0.35
PPARD Q03181 1/20 0.35
CARM1 Q86X55 1/20 0.35
ACACB O00763 1/20 0.35
AKT1 P31749 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
ESR1 P03372 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL14363223 0.85 FFAR1 (0.45) MRGPRX4KMT2ASMN1; SMN2KDM1AFFAR1
SCHEMBL24302317 0.85 RAB9A (0.44) KMT2ASMN1; SMN2RAB9ADRD2DRD4
SCHEMBL8258103 0.82 LMNA (0.50) MRGPRX4KMT2ASMN1; SMN2RAB9AFFAR1
SCHEMBL18295344 0.82 SCN4A (0.47) MRGPRX4KMT2ASMN1; SMN2CARM1AKT1
SCHEMBL18295365 0.82 SCN4A (0.47) MRGPRX4KMT2ASMN1; SMN2CARM1AKT1
SCHEMBL8251559 0.81 MRGPRX4 (0.42) MRGPRX4KMT2ASMN1; SMN2RAB9AKDM1A
SCHEMBL18702752 0.80 ALDH1A1 (0.41) KMT2ASMN1; SMN2MGLLABHD6RAB9A
SCHEMBL29502982 0.80 ALDH1A1 (0.41) KMT2ASMN1; SMN2MGLLABHD6RAB9A
SCHEMBL19618916 0.80 SCN4A (0.50) MRGPRX4KMT2ASMN1; SMN2FFAR1PPARD
SCHEMBL27212793 0.79 CARM1 (0.36) KMT2ASMN1; SMN2MGLLABHD6CARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170233340-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2017-08-17 US 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-20170233340-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF CYP19A1, ESR1, ESR2 MRGPRX4 1294/4885KMT2A 2991/4885SMN1; SMN2 4393/4885

“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.