SCHEMBL16249473

SCHEMBL16249473

CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)CCc5ccc(N)cc5N)CCC4(C)C3CCC12C

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLA1 P09884 1/20 0.62
▸ CYP46A1 Q9Y6A2 2/20 0.61
▸ USP2 O75604 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ ABCB1 P08183 1/20 0.57
▸ OSBP P22059 1/20 0.57
▸ RORC P51449 1/20 0.57
▸ OSBP2 Q969R2 1/20 0.57
▸ PLA2G2A P14555 1/20 0.55
▸ NPC1 O15118 1/20 0.53
▸ NR1H3 Q13133 4/20 0.52
▸ NPC1L1 Q9UHC9 2/20 0.51
▸ GBA1 P04062 2/20 0.51
▸ UGCG Q16739 2/20 0.51
▸ GBA2 Q9HCG7 2/20 0.51
▸ EPHA2 P29317 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50

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
SCHEMBL16249469 0.97 POLA1 (0.62) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL16351567 0.93 POLA1 (0.64) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL16249470 0.93 POLA1 (0.64) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL15339533 0.93 POLA1 (0.60) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL15339560 0.92 POLA1 (0.59) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL16425689 0.90 POLA1 (0.62) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL17124642 0.90 POLA1 (0.63) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL16249463 0.89 POLA1 (0.66) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL16351565 0.88 POLA1 (0.65) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL15328753 0.88 POLA1 (0.65) POLA1CYP46A1USP2LMNAABCB1

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-20140378645-A1 LIQUID CRYSTAL ALIGNING AGENT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-12-25 — — US disclosed
US-20140378645-A1 LIQUID CRYSTAL ALIGNING AGENT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-12-25 — — US disclosed
EP-2803672-A1 LIQUID CRYSTAL ALIGNING AGENT Wako Pure Chemical Industries, Ltd. (JP) 2014-11-19 — — EP 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-20140378645-A1 LIQUID CRYSTAL ALIGNING AGENT CYP17A1, AUP1, NR5A1 POLA1 198/4885CYP46A1 41/4885USP2 599/4885

“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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