SCHEMBL4372142

SCHEMBL4372142

CC(C)Cc1ccc(C=Cc2ccc(CBr)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CHRM1 P11229 1/20 0.40
PDE4A P27815 1/20 0.40
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 2/20 0.39
AKR1C3 P42330 2/20 0.39
CXCR1 P25024 2/20 0.39
CXCR2 P25025 2/20 0.39
ALOX5 P09917 2/20 0.39
ALB P02768 1/20 0.39
ESR1 P03372 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
SCHEMBL4372138 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL7185147 0.89 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL7185145 0.89 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL9576148 0.89 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL1305821 0.87 PTGS1 (0.47) ALDH1A1MEN1POLBKMT2ACHRM1
SCHEMBL9004476 0.82 TRPA1 (0.48) RAB9AALDH1A1PTGS1PTGS2ALOX5
SCHEMBL9004477 0.82 TRPA1 (0.48) RAB9AALDH1A1PTGS1PTGS2ALOX5
SCHEMBL16105619 0.82 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL16105618 0.82 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL38650775 0.82 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1

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-20090124838-A1 LIQUID CRYSTALLINE STYRYL DERIVATIVE, PROCESS OF PREPARING SAME, AND LIQUID CRYSTAL SEMICONDUCTOR DEVICE USING SAME YAMANASHI UNIVERSITY (JP) 2009-05-14 US disclosed
US-20090124838-A1 LIQUID CRYSTALLINE STYRYL DERIVATIVE, PROCESS OF PREPARING SAME, AND LIQUID CRYSTAL SEMICONDUCTOR DEVICE USING SAME YAMANASHI UNIVERSITY (JP) 2009-05-14 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-20090124838-A1 LIQUID CRYSTALLINE STYRYL DERIVATIVE, PROCESS OF PREPARING SAME, AND LIQUID CRYSTAL SEMICONDUCTOR DEVICE USING SAME SCO2, SMYD2, SMYD3 NPC1 1945/4885RAB9A 3017/4885SMN1; SMN2 2448/4885

“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.