SCHEMBL16249838

SCHEMBL16249838

CC(C)CCCC(C)C1CCC2C3CCC4CC(OC(=O)CCCc5ccc(N)cc5N)CCC4(C)C3CCC12C

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 4/20 0.59
▸ POLA1 P09884 1/20 0.58
▸ USP2 O75604 1/20 0.53
▸ VDR P11473 1/20 0.53
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ ST6GAL1 P15907 1/20 0.52
▸ INPP5D Q92835 1/20 0.51

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
SCHEMBL16249673 0.99 CDC25A (0.57) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL16249675 0.98 CDC25A (0.57) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL16249674 0.98 CDC25A (0.57) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL16249866 0.97 CDC25A (0.59) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL15339548 0.93 CDC25A (0.56) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL15339561 0.93 CDC25A (0.60) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL15339523 0.92 CDC25A (0.57) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL17124748 0.90 CDC25A (0.59) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL17124747 0.89 CDC25A (0.59) CDC25APOLA1USP2VDRCYP2D6
SCHEMBL16249719 0.89 CDC25A (0.61) CDC25APOLA1USP2VDRCYP2D6

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-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 CDC25A 836/4885POLA1 198/4885USP2 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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