SCHEMBL3045373

SCHEMBL3045373

CCCCCCON(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA1 P00915 8/20 0.38
CA2 P00918 8/20 0.38
CA9 Q16790 7/20 0.38
LPAR3 Q9UBY5 6/20 0.38
LPAR2 Q9HBW0 5/20 0.38
CA12 O43570 3/20 0.38
CA7 P43166 3/20 0.38
CA14 Q9ULX7 3/20 0.38
LPAR1 Q92633 2/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38

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
SCHEMBL8574590 0.97 THRB (0.37) THRBTSHRMEN1HTTKMT2A
SCHEMBL28126402 0.88 DNM1 (0.42) THRBTSHRMEN1HTTKMT2A
SCHEMBL4810103 0.88 DNM1 (0.37) THRBTSHRMEN1HTTKMT2A
SCHEMBL8979941 0.83 DNM1 (0.42) THRBTSHRALDH1A1CA1CA2
SCHEMBL8026102 0.83 MEN1 (0.45) THRBTSHRMEN1HTTKMT2A
SCHEMBL9766741 0.82 DNM1 (0.40) THRBTSHRMEN1HTTKMT2A
SCHEMBL6679948 0.82 DNM1 (0.46) THRBTSHRMEN1HTTKMT2A
SCHEMBL5552916 0.82 DNM1 (0.40) THRBTSHRMEN1HTTKMT2A
SCHEMBL29034461 0.82 DNM1 (0.46) THRBTSHRMEN1HTTKMT2A
SCHEMBL9807767 0.81 DNM1 (0.44) TSHRMEN1KMT2AALDH1A1CA1

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
CN-103804736-B Preparation method of environment-friendly oil-extended solution-polymerized styrene-butadiene rubber 中国石油天然气股份有限公司 2016-06-08 CN disclosed
CN-103210072-B Based on the spherical lavatory cleaning block of anion surfactant HENKEL AG & CO.KGAA (DE) 2015-11-25 CN disclosed
CN-103804736-A Preparation method of environment-friendly oil-extended solution-polymerized styrene-butadiene rubber PETROCHINA CO LTD 2014-05-21 CN disclosed
CN-103210072-A Ball-shaped toilet blocks based on anionic surfactants HENKEL AG & CO KGAA 2013-07-17 CN disclosed
US-20130121939-A1 Water-in-Oil Emulsified Cosmetic SHISEIDO COMPANY, LTD. (JP) 2013-05-16 US disclosed
US-20100221199-A1 Sunscreen Cosmetics SHISEIDO COMPANY, LTD. (JP) 2010-09-02 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-20100221199-A1 Sunscreen Cosmetics C1S, DDT, TYR THRB 3888/4885TSHR 3562/4885MEN1 1190/4885

“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.