SCHEMBL20022015

SCHEMBL20022015

CCCc1c[nH]c2cc(OCc3ccccc3)c(OCc3ccccc3)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.57
TRPM8 Q7Z2W7 4/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
LTA4H P09960 4/20 0.53
PLA2G2A P14555 4/20 0.53
SLC6A4 P31645 1/20 0.52
HTR2A P28223 1/20 0.49
POLB P06746 1/20 0.48
CTSV O60911 2/20 0.46
CTSL P07711 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
HTR6 P50406 2/20 0.45
KCNH2 Q12809 2/20 0.45
HTR1A P08908 2/20 0.45
HTR1B P28222 2/20 0.45
MITF O75030 1/20 0.44

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
SCHEMBL12067617 0.88 TRPM8 (0.70) HTR1DTRPM8MAPTKDM4ELTA4H
SCHEMBL17067000 0.85 CTSV (0.58) HTR1DTRPM8MAPTKDM4ELTA4H
SCHEMBL6988545 0.84 HTR1D (0.78) HTR1DTRPM8MAPTKDM4ELTA4H
SCHEMBL9738676 0.81 CTSV (0.49) HTR1DTRPM8MAPTKDM4ELTA4H
SCHEMBL19186783 0.79 TRPM8 (0.66) HTR1DTRPM8MAPTKDM4ELTA4H
SCHEMBL13931328 0.79 KDM4E (0.54) MAPTKDM4ELTA4HPLA2G2APOLB
SCHEMBL16491115 0.78 ALDH1A1 (0.56) HTR1DTRPM8MAPTKDM4ELTA4H
SCHEMBL1163168 0.78 HTR1D (0.67) HTR1DTRPM8MAPTKDM4ELTA4H
SCHEMBL9450864 0.77 CTSV (0.55) TRPM8MAPTKDM4ELTA4HPLA2G2A
SCHEMBL14488753 0.77 CTSV (0.52) TRPM8MAPTKDM4ELTA4HPLA2G2A

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-20180092822-A1 HAIR DYEING PROCESS USING A COMPOSITION COMPRISING AT LEAST ONE INDOL(IN)E COMPOUND AND A POLYCYCLIC AROMATIC COMPOUND CONTAINING AT LEAST TEN CARBON ATOMS L'OREAL (FR) 2018-04-05 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-20180092822-A1 HAIR DYEING PROCESS USING A COMPOSITION COMPRISING AT LEAST ONE INDOL(IN)E COMPOUND AND A POLYCYCLIC AROMATIC COMPOUND CONTAINING AT LEAST TEN CARBON ATOMS KRT18, TYR, INCENP HTR1D 455/4885TRPM8 1129/4885MAPT 523/4885

“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.