SCHEMBL18218187

SCHEMBL18218187

C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3[C@@H]4C[C@@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@@H]12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 10/20 0.64
▸ AR P10275 9/20 0.64
▸ LMNA P02545 4/20 0.64
▸ NR3C1 P04150 3/20 0.64
▸ HTR2B P41595 2/20 0.64
▸ ABCC4 O15439 1/20 0.64
▸ ABCB11 O95342 1/20 0.64
▸ CHRM2 P08172 1/20 0.64
▸ HTR2A P28223 1/20 0.64
▸ SHBG P04278 4/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ ADRA1A P35348 1/20 0.55
▸ CYP19A1 P11511 3/20 0.53
▸ SERPINA6 P08185 3/20 0.53
▸ BLM P54132 3/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ HSD17B3 P37058 2/20 0.53
▸ SNCA P37840 2/20 0.53
▸ PMP22 Q01453 2/20 0.53

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
SCHEMBL14256416 1.00 PGR (0.64) PGRARLMNANR3C1HTR2B
SCHEMBL11041227 1.00 PGR (0.64) PGRARLMNANR3C1HTR2B
SCHEMBL14256378 1.00 PGR (0.64) PGRARLMNANR3C1HTR2B
SCHEMBL10939751 0.93 SHBG (0.56) PGRARLMNANR3C1HTR2B
SCHEMBL18220867 0.86 SHBG (0.54) PGRARLMNANR3C1HTR2B
SCHEMBL13936414 0.84 CYP19A1 (0.54) PGRARLMNANR3C1HTR2B
SCHEMBL13103488 0.84 PGR (0.72) PGRARLMNANR3C1HTR2B
SCHEMBL14668726 0.84 PGR (0.72) PGRARLMNANR3C1HTR2B
SCHEMBL12568120 0.83 PGR (0.65) PGRARLMNANR3C1HTR2B
SCHEMBL16852314 0.83 PGR (0.65) PGRARLMNANR3C1HTR2B

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-20160324874-A1 RETINOID X RECEPTOR-GAMMA AGONISTS AND RETINOID X RECEPTOR-ALPHA ANTAGONISTS FOR TREATMENT OF CANCER ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2016-11-10 — — 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-20160324874-A1 RETINOID X RECEPTOR-GAMMA AGONISTS AND RETINOID X RECEPTOR-ALPHA ANTAGONISTS FOR TREATMENT OF CANCER RXRG, RXRA, RXRB PGR 143/4885AR 188/4885LMNA 2446/4885

“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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