SCHEMBL653543

SCHEMBL653543

CCCCCCCCCCC[Mg]CCCC

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
THRB P10828 1/20 0.53
DNM1 Q05193 7/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC22A1 O15245 1/20 0.40
EPHX1 P07099 1/20 0.40

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
SCHEMBL10456942 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL7183127 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL24173 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL9418531 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL10979448 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL7934547 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL10899103 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL943342 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL10603360 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
Heptane SCHEMBL27288990 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018403-B2 Method for producing tetrahydropyran compound and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-04-28 US disclosed
US-20140256921-A1 METHOD FOR PRODUCING TETRAHYDROPYRAN COMPOUND AND INTERMEDIATE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-09-11 US disclosed
US-8765974-B2 Method for producing tetrahydropyran compound and intermediate thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-07-01 US disclosed
EP-2420504-B1 METHOD FOR PRODUCING TETRAHYDROPYRAN COMPOUND AND INTERMEDIATE THEREOF NISSAN CHEMICAL IND LTD (JP) 2014-01-15 EP disclosed
US-20120046476-A1 METHOD FOR PRODUCING TETRAHYDROPYRAN COMPOUND AND INTERMEDIATE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-23 US disclosed
EP-2420504-A1 METHOD FOR PRODUCING TETRAHYDROPYRAN COMPOUND AND INTERMEDIATE THEREOF Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP 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-20140256921-A1 METHOD FOR PRODUCING TETRAHYDROPYRAN COMPOUND AND INTERMEDIATE THEREOF CYP3A5, CYP2E1, CYP3A43 TSHR 1523/4885THRB 1640/4885DNM1 3762/4885
US-20120046476-A1 METHOD FOR PRODUCING TETRAHYDROPYRAN COMPOUND AND INTERMEDIATE THEREOF HPD, CYP3A5, CYP2E1 TSHR 1312/4885THRB 991/4885DNM1 3802/4885

“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.