SCHEMBL16072769

SCHEMBL16072769

CC1(C)COC2(CC3C[C@@H](OC(=O)c4ccccc4)[C@H](CO)[C@H]3C2)OC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TSHR P16473 2/20 0.41
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ ABCB1 P08183 2/20 0.38
▸ RNASE1 P07998 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ BCHE P06276 1/20 0.36

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
SCHEMBL16155139 1.00 RAB9A (0.46) RAB9AKDM4ENPC1SMN1; SMN2TSHR
SCHEMBL16077026 1.00 RAB9A (0.46) RAB9AKDM4ENPC1SMN1; SMN2TSHR
SCHEMBL10729081 0.90 RAB9A (0.48) RAB9AKDM4ENPC1SMN1; SMN2TSHR
SCHEMBL16077039 0.87 GAA (0.39) TSHRGAAKMT2AABCB1CHRM2
SCHEMBL16072779 0.87 GAA (0.39) TSHRGAAKMT2AABCB1CHRM2
SCHEMBL1584062 0.79 GAA (0.52) TSHRGAAKMT2A
SCHEMBL9687625 0.76 GAA (0.37) TSHRGAACHRM2CHRM4CHRM1
SCHEMBL16077036 0.75 BCHE (0.31) BCHE
SCHEMBL11090666 0.75 RAB9A (0.48) RAB9AKDM4ENPC1SMN1; SMN2TSHR
SCHEMBL16077037 0.75 BCHE (0.31) BCHE

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-9345678-B2 Prostanoid receptor agonist compounds and methods of use for same ALLERGAN, INC. (US) 2016-05-24 — — US disclosed
US-20140275266-A1 PROSTANOID RECEPTOR AGONIST COMPOUNDS AND METHODS OF USE FOR SAME ALLERGAN, INC. (US) 2014-09-18 — — 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-20140275266-A1 PROSTANOID RECEPTOR AGONIST COMPOUNDS AND METHODS OF USE FOR SAME PTGIR, PTGER1, PTGDR RAB9A 3876/4885KDM4E 2413/4885NPC1 3244/4885

“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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