SCHEMBL2383587

SCHEMBL2383587

C=CC1CCC(c2ccc(CCC3CCC(CCCCC)CC3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.49
SPHK2 Q9NRA0 7/20 0.43
CYP2C9 P11712 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL2383280 0.99 SPHK1 (0.51) SPHK1SPHK2CYP2C9MEN1KMT2A
SCHEMBL2383829 0.99 SPHK1 (0.51) SPHK1SPHK2CYP2C9MEN1KMT2A
SCHEMBL2384580 0.96 SPHK1 (0.47) SPHK1SPHK2CYP2C9MEN1KMT2A
SCHEMBL2384002 0.91 CYP2C9 (0.48) SPHK1SPHK2CYP2C9MEN1KMT2A
SCHEMBL7913866 0.89 SPHK1 (0.59) SPHK1SPHK2CYP2C9MEN1KMT2A
SCHEMBL7913864 0.89 SPHK1 (0.59) SPHK1SPHK2CYP2C9MEN1KMT2A
SCHEMBL2383839 0.88 SPHK1 (0.40) SPHK1SPHK2CYP2C9MEN1KMT2A
SCHEMBL10479901 0.88 SPHK1 (0.57) SPHK1SPHK2CYP2C9MEN1KMT2A
SCHEMBL10902554 0.88 SPHK1 (0.57) SPHK1SPHK2CYP2C9MEN1KMT2A
SCHEMBL10901561 0.88 SPHK1 (0.57) SPHK1SPHK2CYP2C9MEN1KMT2A

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-8512598-B2 Liquid crystal compounds and method for preparing the same DONGJIN SEMICHEM CO., LTD. (KR) 2013-08-20 US disclosed
US-20110237849-A1 LIQUID CRYSTAL COMPOUNDS AND METHOD FOR PREPARING THE SAME Dongjin Semichem Co., Ltd., (KR) 2011-09-29 US disclosed
WO-2010071335-A1 LIQUID CRYSTAL COMPOUNDS AND METHOD FOR PREPARING THE SAME DONGJIN SEMICHEM CO., LTD. (KR) 2010-06-24 WO 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-20110237849-A1 LIQUID CRYSTAL COMPOUNDS AND METHOD FOR PREPARING THE SAME HCK, NLK, VRK1 SPHK1 789/4885SPHK2 914/4885CYP2C9 548/4885

“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.