SCHEMBL1264012

SCHEMBL1264012

CC(=O)ON1C(C)(C)CC(c2c(C(=O)O)cc(C(C)(C)C)c(O)c2C(C)(C)C)CC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
KMT2A Q03164 1/20 0.34
GLRA3 O75311 1/20 0.33
GLRB P48167 1/20 0.33
ALDH1A1 P00352 1/20 0.31
ESR1 P03372 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL9063420 0.85 GLRA3 (0.37) KMT2AGLRA3GLRB
SCHEMBL11175160 0.85 GLRA3 (0.37) KMT2AGLRA3GLRB
SCHEMBL9588924 0.83 GLRA3 (0.31) GLRA3GLRB
SCHEMBL7512887 0.72 NR5A2 (0.33) GLRA3GLRB
SCHEMBL1264011 0.71 TSHR (0.64) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL9737841 0.70 TSHR (0.46) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL9736787 0.69 TSHR (0.45) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL9742368 0.67 TSHR (0.63) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL9461311 0.67 GAA (0.31)
SCHEMBL27716443 0.67 GLRA3 (0.55) KMT2AGLRA3GLRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5112890-A Piperidine compound with oxygen bonded to ring nitrogen CIBA-GEIGY CORPORATION (US) 1992-05-12 US claimed
US-8163934-B2 Ultraviolet light absorbing ketones of 2-(2-hydroxyphenyl) benzotriazole CHANG CHIA-HU (US) 2012-04-24 US disclosed
EP-2332013-A1 ULTRAVIOLET LIGHT ABSORBING KETONES OF 2-(2-HYDROXYPHENYL) BENZOTRIAZOLE Chang, Chia-Hu (US) 2011-06-15 EP disclosed
US-20110038816-A1 Ultraviolet light absorbing ketones of 2-(2-hydroxyhenyl) benzotriazole CHANG CHIA-HU 2011-02-17 US disclosed
US-7847103-B2 Ultraviolet light absorbing ketones of 2-(2-hydroxyphenyl) benzotriazole CHANG CHIA-HU 2010-12-07 US disclosed
US-20100086500-A1 Ultraviolet light absorbing ketones of 2-(2-Hydroxyphenyl) benzotriazole CHANG CHIA-HU 2010-04-08 US disclosed
WO-2010039229-A1 ULTRAVIOLET LIGHT ABSORBING KETONES OF 2-(2-HYDROXYPHENYL) BENZOTRIAZOLE CHANG CHIA-HU (US) 2010-04-08 WO disclosed
EP-0309400-B1 N-acyloxy hindered amine stabilizers CIBA GEIGY AG (CH) 1994-03-02 EP disclosed
EP-0309400-A2 N-acyloxy hindered amine stabilizers CIBA-GEIGY AG (CH) 1989-03-29 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-20110038816-A1 Ultraviolet light absorbing ketones of 2-(2-hydroxyhenyl) benzotriazole HCRTR2, HCRTR1, POLL TSHR 983/4885KMT2A 345/4885GLRA3 1620/4885
US-20100086500-A1 Ultraviolet light absorbing ketones of 2-(2-Hydroxyphenyl) benzotriazole HCRTR2, HCRTR1, PAH TSHR 996/4885KMT2A 357/4885GLRA3 1512/4885

“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.