SCHEMBL10258503

SCHEMBL10258503

CCCCCNC(C)(C)CC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
EPHX1 P07099 11/20 0.39
ADH1B P00325 2/20 0.34
ADH1C P00326 2/20 0.34
ADH1A P07327 2/20 0.34
ADH7 P40394 2/20 0.34
ADH4 P08319 1/20 0.34
THRB P10828 1/20 0.32
PPARA Q07869 2/20 0.31
GBA1 P04062 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
SCHEMBL13167887 0.98 EPHX1 (0.42) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL29918589 0.98 EPHX1 (0.42) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL11922809 0.93 TSHR (0.36) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL7831036 0.87 DPP4 (0.31)
SCHEMBL9152291 0.87 EPHX1 (0.38) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL9286517 0.82 TDP1 (0.34) TSHR
SCHEMBL29321716 0.82 ALDH1A1 (0.39) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL18780547 0.80 EPHX1 (0.42) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL9942667 0.80 EPHX1 (0.42) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL841225 0.80 TSHR (0.46) TSHRALDH1A1EPHX1ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103443171-B Polyethylene film 伊奎斯塔化学有限公司 2016-08-17 CN disclosed
US-8158791-B2 Aza-substituted spiro derivatives MSD K.K. (JP) 2012-04-17 US disclosed
US-20090258871-A1 Aza-Substituted Spiro Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-10-15 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-20090258871-A1 Aza-Substituted Spiro Derivatives AZI2, NR3C2, DNMT3A TSHR 454/4885ALDH1A1 873/4885EPHX1 3258/4885

“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.