SCHEMBL11942498

SCHEMBL11942498

COC(=O)C1CN(C(=O)c2ccc3cc(O[C@H]4CC[C@H](C(C)(C)C)CC4)ccc3c2)C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.50
▸ PDK2 Q15119 2/20 0.44
▸ HPGDS O60760 1/20 0.41
▸ TRPV6 Q9H1D0 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL12471398 0.91 HRH3 (0.57) HRH3TRPV6MEN1KMT2AALDH1A1
SCHEMBL12471396 0.91 HRH3 (0.57) HRH3TRPV6MEN1KMT2AALDH1A1
SCHEMBL29700588 0.85 HRH3 (0.67) HRH3MEN1KMT2A
SCHEMBL12471111 0.82 HRH3 (0.56) HRH3
SCHEMBL12471106 0.82 HRH3 (0.56) HRH3
SCHEMBL1161522 0.81 HPGDS (0.48) HRH3HPGDSALDH1A1KDM4E
SCHEMBL1161523 0.81 HPGDS (0.48) HRH3HPGDSALDH1A1KDM4E
SCHEMBL11942474 0.80 ENPP2 (0.52) ALDH1A1
SCHEMBL1161617 0.80 ENPP2 (0.52) ALDH1A1
SCHEMBL1161619 0.80 ENPP2 (0.52) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802659-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2014-08-12 — — US disclosed
US-8802659-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2014-08-12 — — US disclosed
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2012-07-26 — — US disclosed
US-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2012-07-26 — — 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-20120190649-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 HRH3 613/4885PDK2 1662/4885HPGDS 1263/4885

“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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