SCHEMBL1337645

SCHEMBL1337645

CCc1c[nH]c2ccc(B3OC(C)(C)C(C)(C)O3)cc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPL P06858 8/20 0.42
LIPG Q9Y5X9 8/20 0.42
HTR1D P28221 3/20 0.40
HTR1A P08908 2/20 0.40
HTR1B P28222 2/20 0.40
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
GPR84 Q9NQS5 4/20 0.37
MPO P05164 1/20 0.37
HTR2A P28223 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL1337282 0.89 LPL (0.50) LPLLIPGHTR1DHTR1AHTR1B
SCHEMBL15912503 0.89 LPL (0.42) LPLLIPGPRMT5WDR77GPR84
SCHEMBL15897087 0.85 ALDH1A1 (0.56) LIPGHTR1DHTR1AHTR1BPRMT5
SCHEMBL758451 0.85 CYP2D6 (0.49) LPLLIPGHTR1DHTR1AHTR1B
SCHEMBL25776268 0.84 LPL (0.37) LPLLIPGHTR1DHTR1AHTR1B
SCHEMBL12016746 0.83 HTR1A (0.56) HTR1DHTR1AHTR1BMPOHTR2A
SCHEMBL20548413 0.82 TGM2 (0.46) HTR1APRMT5WDR77GPR84HTR2A
SCHEMBL1337551 0.81 ATM (0.41) LPLLIPGPRMT5WDR77
SCHEMBL759272 0.79 ALDH1A1 (0.50) LPLLIPGPRMT5WDR77
SCHEMBL30390468 0.78 HIF1A (0.41) LPLLIPGPRMT5WDR77GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758474-B2 Immunomodulator and anti-inflammatory compounds INCOZEN THERAPEUTICS PVT. LTD. (IN) 2017-09-12 US disclosed
US-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS INCOZEN THERAPEUTICS PVT. LTD. (CH) 2014-08-07 US disclosed
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS RHIZEN PHARMACEUTICALS SA (FR) 2011-11-10 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-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR LPL 768/4885LIPG 402/4885HTR1D 4601/4885
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR LPL 768/4885LIPG 402/4885HTR1D 4601/4885

“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.