SCHEMBL11407598

SCHEMBL11407598

CCc1ccc(C(=O)Oc2ccc(C3CCC(CC)CC3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ RECQL P46063 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
SCHEMBL11407559 1.00 CYP2C9 (0.46) CYP2C9ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL11411710 0.91 CYP2C9 (0.46) CYP2C9ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL11412000 0.91 CYP2C9 (0.46) CYP2C9ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL11411864 0.90 CYP2C9 (0.60) CYP2C9ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL11406369 0.90 CYP2C9 (0.60) CYP2C9ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL11412941 0.90 CYP2C9 (0.46) CYP2C9ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL11406218 0.90 MAPT (0.54) CYP2C9ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL11405566 0.90 PRSS1 (0.46) CYP2C9ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL11410805 0.90 PRSS1 (0.46) CYP2C9ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL11410645 0.89 SPHK1 (0.45) CYP2C9ALDH1A1MAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455061-B2 Optically active compound having polymerizable group and its polymer JNC CORPORATION (JP) 2013-06-04 — — US disclosed
US-8404316-B2 Polymerizable liquid crystal compound and its polymer JNC CORPORATION (JP) 2013-03-26 — — US disclosed
US-8366962-B2 Polymerizable liquid crystal compounds having oxiranyl group, polymerizable liquid crystal compositions and polymers JNC CORPORATION (JP) 2013-02-05 — — US disclosed
US-20110240918-A1 OPTICALLY ACTIVE COMPOUND HAVING POLYMERIZABLE GROUP AND ITS POLYMER CHISSO CORPORATION (JP) 2011-10-06 — — US disclosed
US-20110147656-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS HAVING OXIRANYL GROUP, POLYMERIZABLE LIQUID CRYSTAL COMPOSITIONS AND POLYMERS CHISSO CORPORATION (JP) 2011-06-23 — — US disclosed
US-20110086185-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND AND ITS POLYMER CHISSO CORPORATION (JP) 2011-04-14 — — US disclosed
US-4229315-A FOR DISPLAY ELEMENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-10-21 — — 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-20110086185-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND AND ITS POLYMER CCNT1, POF1B, CCND3 CYP2C9 1204/4885ALDH1A1 926/4885MAPT 2658/4885

“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.

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