SCHEMBL6675246

SCHEMBL6675246

CC(C)(C)c1cccc(C(C)(C)C)[n+]1[O-]

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL13145941 0.85 KDM4E (0.32) CA2GABRA1GABRB2
SCHEMBL15449659 0.74 ACHE (0.36) CA2GABRA1GABRB2
SCHEMBL13876260 0.69
SCHEMBL29962993 0.66 HDAC8 (0.30)
SCHEMBL12306280 0.63 HDAC8 (0.46)
SCHEMBL8276398 0.62 BCHE (0.31)
SCHEMBL13876366 0.62 ALDH1A1 (0.34) CA2
SCHEMBL378551 0.61
SCHEMBL28491364 0.60 BCHE (0.31)
Hydrochloric Acid SCHEMBL7856022 0.59 TSHR (0.42) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] PHENEX PHARMACEUTICALS AG (DE) 2019-05-28 US disclosed
US-9964531-B2 Phenylacetylenes UNIVERSITY OF OREGON (US) 2018-05-08 US disclosed
US-20150355153-A1 PHENYLACETYLENES UNIVERSITY OF OREGON (US) 2015-12-10 US disclosed
US-20150175562-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] PHENEX PHARMACEUTICALS AG (DE) 2015-06-25 US disclosed
EP-2855440-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] Phenex Pharmaceuticals AG (DE) 2015-04-08 EP disclosed
US-8841460-B2 Tunable phenylacetylene hosts STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 2014-09-23 US disclosed
US-20140031559-A1 TUNABLE PHENYLACETYLENE HOSTS State of Oregon, acting by and through the State Board of Higher Education on Behalf of University (US) 2014-01-30 US disclosed
WO-2013178362-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] PHENEX PHARMACEUTICALS AG (DE) 2013-12-05 WO disclosed
EP-1228189-B1 MICROEMULSION CLEANING COMPOSITION BAKER HUGHES INC (US) 2004-10-13 EP disclosed
US-6486115-B1 Microemulsion cleaning composition BAKER HUGHES INCORPORATED 2002-11-26 US disclosed
EP-1228189-A1 MICROEMULSION CLEANING COMPOSITION BAKER HUGHES INCORPORATED (US) 2002-08-07 EP disclosed
WO-2001034760-A1 MICROEMULSION CLEANING COMPOSITION BAKER HUGHES INCORPORATED (US) 2001-05-17 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 (4 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-20150355153-A1 PHENYLACETYLENES HDAC10, H1-10, H1-0 CA2 3121/4885GABRA1 3312/4885GABRB2 3218/4885
US-20140031559-A1 TUNABLE PHENYLACETYLENE HOSTS NAA10, OR10J3, CBR3 CA2 157/4885GABRA1 1137/4885GABRB2 1184/4885
US-20150175562-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] RORA, RORB, RORC CA2 304/4885GABRA1 261/4885GABRB2 342/4885
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] RORA, RORB, RORC CA2 343/4885GABRA1 273/4885GABRB2 345/4885

“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.