SCHEMBL14966895

SCHEMBL14966895

CCCCC(C)[S+]([O-])C(C)CCCC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.38
OPRM1 P35372 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 5/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
FDPS P14324 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL14966766 0.92 OPRM1 (0.46) DNM1OPRM1CA1CA2TSHR
SCHEMBL3986953 0.90 OPRM1 (0.44) DNM1OPRM1CA1CA2TSHR
SCHEMBL1426976 0.90 OPRM1 (0.44) DNM1OPRM1CA1CA2TSHR
SCHEMBL1109670 0.90 OPRM1 (0.44) DNM1OPRM1CA1CA2TSHR
SCHEMBL2164250 0.90 OPRM1 (0.44) DNM1OPRM1CA1CA2TSHR
SCHEMBL5424869 0.90 OPRM1 (0.44) DNM1OPRM1CA1CA2TSHR
SCHEMBL18716706 0.87 DNM1 (0.33) DNM1OPRM1CA1CA2ALDH1A1
SCHEMBL775732 0.82 TSHR (0.35) TSHRCYP3A4
SCHEMBL29095159 0.79
SCHEMBL20870351 0.77 DNM1 (0.33) DNM1OPRM1CA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3357908-B1 METHOD FOR PRODUCING ALDEHYDE COMPOUND OR KETONE COMPOUND FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2020-12-09 EP disclosed
EP-3357898-B1 METHOD FOR PRODUCING ORGANIC COMPOUND FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2020-11-25 EP disclosed
US-10351512-B2 Method of producing organic compound FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-07-16 US disclosed
US-20180244604-A1 METHOD OF PRODUCING ORGANIC COMPOUND FUJIFILM FINECHEMICALS CO., LTD. (JP) 2018-08-30 US disclosed
EP-3357908-A1 METHOD FOR PRODUCING ALDEHYDE COMPOUND OR KETONE COMPOUND Fujifilm Finechemicals Co., Ltd. (JP) 2018-08-08 EP disclosed
EP-3357898-A1 METHOD FOR PRODUCING ORGANIC COMPOUND Fujifilm Finechemicals Co., Ltd. (JP) 2018-08-08 EP disclosed
US-9505859-B2 Process for producing polydienes BRIDGESTONE CORPORATION (JP) 2016-11-29 US disclosed
EP-2780381-B1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORP (JP) 2015-10-07 EP disclosed
US-20140303327-A1 Process For Producing Polydienes BRIDGESTONE CORPORATION (JP) 2014-10-09 US disclosed
EP-2780381-A1 PROCESS FOR PRODUCING POLYDIENES Bridgestone Corporation (JP) 2014-09-24 EP disclosed
WO-2013075085-A1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORPORATION (JP) 2013-05-23 WO 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 (2 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-20180244604-A1 METHOD OF PRODUCING ORGANIC COMPOUND LPO, OR10J3, AOX1 DNM1 836/4885OPRM1 296/4885CA1 2805/4885
US-10351512-B2 Method of producing organic compound LPO, OR10J3, AOX1 DNM1 836/4885OPRM1 296/4885CA1 2805/4885

“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.