SCHEMBL96869

SCHEMBL96869

CC(=CC1CC(C)(C)N(C)C(C)(C)C1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
CD81 P60033 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
SCHEMBL96868 1.00 TSHR (0.34) TSHRNFKB1CYP2C19CD81
SCHEMBL17075340 0.85 CD81 (0.30) CD81
SCHEMBL8849245 0.85 TSHR (0.30) TSHRNFKB1CYP2C19
SCHEMBL2811154 0.81
SCHEMBL27612828 0.80 TSHR (0.33) TSHRNFKB1CYP2C19
SCHEMBL15051850 0.77
SCHEMBL15051856 0.77
SCHEMBL3973781 0.77 APLNR (0.35) TSHRCD81
SCHEMBL3974368 0.77 APLNR (0.35) TSHRCD81
SCHEMBL28248658 0.76 AKR1C3 (0.38) TSHRCYP2C19

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 290 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912775-A Indicator material and preparation method and application thereof 江苏海伦隐形眼镜有限公司 2022-01-11 CN claimed
US-11203699-B2 Resin emulsion for coating materials NIPPON SHOKUBAI CO., LTD. (JP) 2021-12-21 US claimed
EP-3234042-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2019-06-19 EP claimed
US-9757369-B2 Heterocyclic GSK-3 allosteric modulators CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2017-09-12 US claimed
US-20170196850-A1 Heterocyclic GSK-3 Allosteric Modulators CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2017-07-13 US claimed
EP-2769720-B1 HETEROCYCLIC GSK-3 ALLOSTERIC MODULATORS CONSEJO SUPERIOR DE INVESTIG CIENTÍFICAS (CSIC) (ES) 2017-03-29 EP claimed
US-9585879-B2 Heterocyclic GSK-3 allosteric modulators CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2017-03-07 US claimed
US-20160113918-A1 Heterocyclic GSK-3 Allosteric Modulators CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2016-04-28 US claimed
US-9193688-B2 Heterocyclic GSK-3 allosteric modulators CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2015-11-24 US claimed
US-20150057311-A1 Heterocyclic GSK-3 Allosteric Modulators CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2015-02-26 US claimed
EP-2769720-A1 HETEROCYCLIC GSK-3 ALLOSTERIC MODULATORS Consejo Superior De Investigaciones Científicas (CSIC) (ES) 2014-08-27 EP claimed
WO-2004033568-A1 ANTIMICROBIAL COATINGS AND METHOD FOR PRODUCTION THEREOF CREAVIS GESELLSCHAFT FÜR TECHNOLOGIE UND INNOVATION MBH (DE) 2004-04-22 WO claimed
US-5998013-A CURED PRODUCT OF AN ULTRAVIOLET-CURING RESIN AND AGGLOMERATES OF COLLOIDAL SILICA PARTICLES FORMED WITH AN AMINE LINTEC CORPORATION (JP) 1999-12-07 US claimed
EP-4729581-A1 PLASTICIZER, COMPOSITION, AND MOLDED ARTICLE ADEKA CORPORATION (JP) 2026-04-22 EP disclosed
EP-4714983-A1 PHOTOCURABLE RESIN COMPOSITION AND CURED OBJECT FORMED THEREFROM ThreeBond Co., Ltd. (JP) 2026-03-25 EP disclosed
US-12460073-B2 Curable resin composition, fuel cell, and sealing method THREEBOND CO., LTD. (JP) 2025-11-04 US disclosed
EP-0751164-A1 CROSS-LINKING RESIN COMPOSITION Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1997-01-02 EP disclosed
US-5356995-A Silicon-containing copolymer, acrylic copolymer, curing agent cabable of reacting with both copolymers, uv rad stabilizer of benzotriazole or triazine derivative copolymerized CIBA-GEIGY CORPORATION (US) 1994-10-18 US disclosed
US-5198498-A Light-stabilized binders for coating compositions CIBA-GEIGY CORPORATION (US) 1993-03-30 US disclosed
US-4344877-A Bicyclo 4-acyloxypiperidine light stabilizers CIBA-GEIGY CORPORATION (US) 1982-08-17 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 (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-20170196850-A1 Heterocyclic GSK-3 Allosteric Modulators GSK3B, GSK3A, GSKIP TSHR 3400/4885NFKB1 775/4885CYP2C19 2700/4885
US-20160113918-A1 Heterocyclic GSK-3 Allosteric Modulators GSK3B, GSK3A, GSKIP TSHR 3400/4885NFKB1 775/4885CYP2C19 2700/4885
US-20150057311-A1 Heterocyclic GSK-3 Allosteric Modulators GSK3B, GSK3A, GSKIP TSHR 3400/4885NFKB1 775/4885CYP2C19 2700/4885

“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.