SCHEMBL14020726

SCHEMBL14020726

CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)C5CC5[C@@]4(C)[C@@H]3[C@@H](OC(=O)Nc3ccc4c(c3)OCO4)C[C@]12C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.40
▸ NPC1 O15118 5/20 0.40
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP3A4 P08684 3/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ MAPT P10636 2/20 0.34
▸ PGR P06401 1/20 0.34
▸ AR P10275 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ RIN1 Q13671 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL14045291 0.90 RAB9A (0.38) RAB9ANPC1KMT2AMEN1CYP3A4
SCHEMBL14020722 0.85 CYP17A1 (0.42) RAB9ANPC1KMT2AMEN1CYP3A4
SCHEMBL14020702 0.84 CYP3A4 (0.50) RAB9ANPC1KMT2AMEN1CYP3A4
SCHEMBL14069643 0.76 NPC1 (0.36) RAB9ANPC1KMT2AMEN1CYP3A4
SCHEMBL14020827 0.75 CYP3A4 (0.46) RAB9ANPC1KMT2AMEN1CYP3A4
SCHEMBL14069442 0.75 CYP3A4 (0.46) RAB9ANPC1KMT2AMEN1CYP3A4
SCHEMBL3938011 0.75 CYP3A4 (0.45) CYP3A4CYP2C19CYP2C9ALDH1A1MAPT
SCHEMBL14020720 0.71 MAPT (0.35) RAB9ANPC1KMT2AMEN1CYP3A4
SCHEMBL14020699 0.70 CYP3A4 (0.54) RAB9AKMT2AMEN1CYP3A4CYP2C19
SCHEMBL14020704 0.70 CYP3A4 (0.52) RAB9AKMT2AMEN1CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249075-A1 C11 Modified Retrosteroids as Progesterone Receptor Modulator Compounds SOLVAY PHARMACEUTICALS GMBH (DE) 2008-10-09 — — 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-20080249075-A1 C11 Modified Retrosteroids as Progesterone Receptor Modulator Compounds HSD17B11, CYP19A1, ESRRA RAB9A 1020/4885NPC1 1422/4885KMT2A 2742/4885

“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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