SCHEMBL18873503

SCHEMBL18873503

OCCCCCOCC1CCC2OC2C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.33
UGCG Q16739 2/20 0.33
GBA2 Q9HCG7 2/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SPHK2 Q9NRA0 4/20 0.31
SPHK1 Q9NYA1 4/20 0.31
GAA P10253 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
SCHEMBL5819788 1.00 GBA1 (0.33) GBA1UGCGGBA2TSHRALDH1A1
SCHEMBL5818100 0.98 TSHR (0.34) GBA1UGCGGBA2TSHR
SCHEMBL19729210 0.93 TSHR (0.31) TSHR
1,6-Hexanediol SCHEMBL5819793 0.93 PTGS1 (0.30)
1,4-Butanediol SCHEMBL5818104 0.91 PTGS1 (0.31)
SCHEMBL29581677 0.91 TSHR (0.39) GBA1UGCGGBA2TSHRALDH1A1
SCHEMBL11759538 0.89 TSHR (0.40) TSHRALDH1A1TDP1
SCHEMBL5822042 0.88 TSHR (0.32) TSHR
SCHEMBL13935572 0.86 TSHR (0.35) TSHR
SCHEMBL14256258 0.85 MEN1 (0.38) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428032-B2 Polymerizable compound and optically anisotropic body DIC CORPORATION (JP) 2019-10-01 US disclosed
US-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER DIC CORPORATION (JP) 2018-01-25 US disclosed
US-20170362508-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-12-21 US disclosed
US-20170362508-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-12-21 US disclosed
WO-2017079867-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-05-18 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 (3 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-10428032-B2 Polymerizable compound and optically anisotropic body CCNY, F12, CCNI GBA1 2310/4885UGCG 1530/4885GBA2 2451/4885
US-20170362508-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY PBDC1, RCC1, PUF60 GBA1 1167/4885UGCG 1656/4885GBA2 1132/4885
US-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER SMC4, MAP1LC3C, ZW10 GBA1 2311/4885UGCG 1051/4885GBA2 1013/4885

“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.