SCHEMBL20030409

SCHEMBL20030409

Cc1c(CCCCCCC(C)C)[nH]c2ccccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.51
HTT P42858 2/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 3/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
RAB9A P51151 1/20 0.40
OXER1 Q8TDS5 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL20274750 0.90 CYP2D6 (0.49) CYP2D6HTTKDM4EALDH1A1HPGD
SCHEMBL27921144 0.85 CYP2D6 (0.68) CYP2D6HTTKDM4EALDH1A1HPGD
SCHEMBL27902363 0.85 CYP2D6 (0.68) CYP2D6HTTKDM4EALDH1A1HPGD
SCHEMBL17400300 0.85 CYP2D6 (0.68) CYP2D6HTTKDM4EALDH1A1HPGD
SCHEMBL12891618 0.85 CYP2D6 (0.68) CYP2D6HTTKDM4EALDH1A1HPGD
SCHEMBL8537338 0.83 CYP2D6 (0.66) CYP2D6HTTKDM4EALDH1A1HPGD
SCHEMBL3103628 0.82 KDM4E (0.51) CYP2D6HTTKDM4EALDH1A1HPGD
SCHEMBL17400293 0.80 CYP2D6 (0.51) CYP2D6HTTKDM4EALDH1A1HPGD
SCHEMBL17400315 0.80 CYP2D6 (0.59) CYP2D6HTTKDM4EALDH1A1HPGD
SCHEMBL21555486 0.79 CYP2D6 (0.55) CYP2D6HTTKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202347-B2 Compound, production method therefor, and use of said compound MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2019-02-12 US disclosed
US-20180093954-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND USE OF SAID COMPOUND MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 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 (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-10202347-B2 Compound, production method therefor, and use of said compound PGC, CYP51A1, WEE1 CYP2D6 898/4885HTT 1067/4885KDM4E 3499/4885
US-20180093954-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND USE OF SAID COMPOUND PGC, WEE1, CYP51A1 CYP2D6 960/4885HTT 1699/4885KDM4E 3410/4885

“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.