SCHEMBL16309031

SCHEMBL16309031

CC(C)(C)OC[C@H]1CC[C@H](O)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
SHBG P04278 1/20 0.32
RIPK1 Q13546 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL16309032 1.00 ALDH1A1 (0.46) ALDH1A1CHRM2CHRM1CHRM3SHBG
SCHEMBL16109561 0.88 ALDH1A1 (0.50) ALDH1A1RIPK1MAPK1
SCHEMBL685573 0.88
SCHEMBL18355381 0.82 ALDH1A1 (0.41) ALDH1A1RIPK1MAPK1
SCHEMBL13849303 0.80 ALDH1A1 (0.35) ALDH1A1CHRM2CHRM1CHRM3SHBG
SCHEMBL20002818 0.79 LIPA (0.32)
SCHEMBL24775454 0.79 ALDH1A1 (0.43) ALDH1A1RIPK1
SCHEMBL16133774 0.79 ALDH1A1 (0.43) ALDH1A1RIPK1
SCHEMBL11930043 0.79 ALDH1A1 (0.43) ALDH1A1RIPK1
SCHEMBL25131775 0.79 ALDH1A1 (0.43) ALDH1A1CHRM2CHRM1CHRM3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894040-B2 S1P modulating agents BIOGEN MA INC. (US) 2021-01-19 US disclosed
US-20200038385-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. 2020-02-06 US disclosed
US-10406144-B2 SIP modulating agents BIOGEN MA INC. (US) 2019-09-10 US disclosed
US-10034869-B2 S1P modulating agents BIOGEN MA INC. (US) 2018-07-31 US disclosed
US-10034869-B2 S1P modulating agents BIOGEN MA INC. (US) 2018-07-31 US disclosed
US-20180028511-A1 S1P MODULATING AGENTS BIOGEN IDEC MA 2018-02-01 US disclosed
US-20180028511-A1 S1P MODULATING AGENTS BIOGEN IDEC MA 2018-02-01 US disclosed
US-9808449-B2 S1P modulating agents BIOGEN MA INC. (US) 2017-11-07 US disclosed
US-9808449-B2 S1P modulating agents BIOGEN MA INC. (US) 2017-11-07 US disclosed
EP-3150590-A1 S1P MODULATING AGENTS Biogen MA Inc. (US) 2017-04-05 EP disclosed
US-20160263093-A1 S1P modulating agents BIOGEN MA INC. 2016-09-15 US disclosed
US-20160263093-A1 S1P modulating agents BIOGEN MA INC. 2016-09-15 US disclosed
EP-2672823-B1 S1P MODULATING AGENTS BIOGEN MA INC (US) 2016-08-24 EP disclosed
US-9340527-B2 S1P modulating agents BIOGEN MA INC. (US) 2016-05-17 US disclosed
US-9340527-B2 S1P modulating agents BIOGEN MA INC. (US) 2016-05-17 US disclosed
US-20140371209-A1 S1P Modulating Agents BIOGEN MA INC. 2014-12-18 US disclosed
US-20140371209-A1 S1P Modulating Agents BIOGEN MA INC. 2014-12-18 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 (7 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-20200038385-A1 S1P MODULATING AGENTS S1PR2, S1PR1, S1PR3 ALDH1A1 2452/4885CHRM2 852/4885CHRM1 1184/4885
US-20140371209-A1 S1P Modulating Agents S1PR2, S1PR1, S1PR3 ALDH1A1 2436/4885CHRM2 606/4885CHRM1 794/4885
US-10034869-B2 S1P modulating agents S1PR2, S1PR1, S1PR3 ALDH1A1 2514/4885CHRM2 660/4885CHRM1 930/4885
US-20180028511-A1 S1P MODULATING AGENTS S1PR2, S1PR1, S1PR3 ALDH1A1 2452/4885CHRM2 852/4885CHRM1 1184/4885
US-10406144-B2 SIP modulating agents S1PR2, S1PR1, S1PR3 ALDH1A1 2802/4885CHRM2 586/4885CHRM1 787/4885
US-10894040-B2 S1P modulating agents S1PR2, S1PR1, S1PR3 ALDH1A1 2508/4885CHRM2 635/4885CHRM1 934/4885
US-20160263093-A1 S1P modulating agents S1PR2, S1PR1, S1PR3 ALDH1A1 2452/4885CHRM2 852/4885CHRM1 1184/4885

“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.