SCHEMBL7836682

SCHEMBL7836682

COc1cc(C(C)(C)C)ccc1OCC(=O)NC1CC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.65
RAB9A P51151 2/20 0.65
HPGD P15428 5/20 0.58
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.55
LDHA P00338 1/20 0.52
GAA P10253 1/20 0.52
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
RXFP1 Q9HBX9 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL18715504 0.84 NPC1 (0.88) NPC1RAB9AHPGDALDH1A1POLB
SCHEMBL16083145 0.84 NPC1 (0.88) NPC1RAB9AHPGDALDH1A1POLB
SCHEMBL16083179 0.82 NPC1 (0.70) NPC1RAB9AHPGDALDH1A1POLB
SCHEMBL8374096 0.81 NPC1 (0.66) NPC1RAB9AHPGDALDH1A1POLB
SCHEMBL15613309 0.81 SMN1; SMN2 (0.72) NPC1RAB9AHPGDALDH1A1POLB
SCHEMBL29952871 0.80 ALDH1A1 (0.70) NPC1RAB9AHPGDALDH1A1POLB
SCHEMBL17656858 0.80 RAB9A (0.80) NPC1RAB9AHPGDALDH1A1POLB
SCHEMBL25893683 0.80 NPC1 (0.80) NPC1RAB9AHPGDALDH1A1POLB
SCHEMBL7844241 0.80 CYP2C19 (0.51) ALDH1A1POLBLMNASMN1; SMN2MEN1
SCHEMBL16872915 0.80 SMN1; SMN2 (0.70) NPC1RAB9AHPGDALDH1A1LMNA

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-8377945-B2 Small molecule inhibitors of spleen tyrosine kinase (SYK) RIGEL PHARMACEUTICALS INC. (US) 2013-02-19 US disclosed
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) MIDCAP FINANCIAL TRUST 2010-12-16 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-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) SYK, BTK, LCK NPC1 3836/4885RAB9A 2229/4885HPGD 3272/4885

“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.