SCHEMBL1086002

SCHEMBL1086002

CC(C)(C)c1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.62
RARG P13631 1/20 0.62
APP P05067 1/20 0.57
MAPT P10636 3/20 0.50
KIF11 P52732 1/20 0.48
TSHR P16473 1/20 0.44
KCNH2 Q12809 1/20 0.43
ACACB O00763 2/20 0.42
LMNA P02545 1/20 0.42
TYR P14679 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CYP1A2 P05177 2/20 0.41
GRM5 P41594 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
FFAR1 O14842 1/20 0.41
NPC1 O15118 2/20 0.40

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
SCHEMBL25413986 0.90 RARB (0.65) RARBRARGAPPMAPTKIF11
SCHEMBL4178442 0.86 RARB (0.53) RARBRARGAPPMAPTKIF11
SCHEMBL26208833 0.82 APP (0.52) RARBRARGAPPMAPTKCNH2
SCHEMBL11777860 0.82 APP (0.52) RARBRARGAPPMAPTKCNH2
Hydrochloric Acid SCHEMBL11706833 0.80 MAPT (0.50) RARBRARGAPPMAPTKCNH2
SCHEMBL31614577 0.80 FFAR1 (0.50) RARBRARGKIF11ACACBLMNA
SCHEMBL9562875 0.80 GRM5 (0.51) RARBRARGKIF11TSHRCA12
SCHEMBL28506019 0.79 RARB (0.55) RARBRARGAPPMAPTKIF11
SCHEMBL2114741 0.79 APP (0.92) APPMAPTTSHRKCNH2CA12
SCHEMBL11781276 0.79 APP (0.48) RARBRARGAPPMAPTKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120192608-A Ultra-high voltage cable shielding material and preparation method thereof 万华化学(宁波)有限公司 2025-06-24 CN claimed
CN-120192608-A Ultra-high voltage cable shielding material and preparation method thereof 万华化学(宁波)有限公司 2025-06-24 CN disclosed
CN-111118530-B Preparation method of chlorinated alkyne compound by electrochemical oxidation in diaphragm-free electrolytic cell 南京林业大学 2021-07-02 CN disclosed
CN-109233325-B Asymmetric benzo-fluoro-boron dipyrrole fluorescent dye and preparation method thereof 南京大学 2021-03-19 CN disclosed
CN-111118530-A Preparation method of chlorinated alkyne compound by electrochemical oxidation in diaphragm-free electrolytic cell 南京林业大学 2020-05-08 CN disclosed
US-20170282170-A9 PHOSPHORUS-CONTAINING CATALYSTS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-10-05 US disclosed
US-20160207034-A1 PHOSPHORUS-CONTAINING CATALYSTS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-07-21 US disclosed
US-8153726-B2 Highly oxygen permeable rigid contact lenses from polyacetylenes THE LAGADO CORPORATION (US) 2012-04-10 US disclosed
WO-2007041166-A2 HIGHLY OXYGEN PERMEABLE RIGID CONTACT LENSES FROM POLYACETYLENES THE LAGADO CORPORATION (US) 2007-04-12 WO disclosed
US-20070078245-A1 Highly Oxygen Permeable Rigid Contact Lenses from Polyacetylenes THE LAGADO CORPORATION (US) 2007-04-05 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 (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-20160207034-A1 PHOSPHORUS-CONTAINING CATALYSTS AR, NR2C2, ORC3 RARB 602/4885RARG 746/4885APP 2712/4885
US-20170282170-A9 PHOSPHORUS-CONTAINING CATALYSTS AR, NR2C2, ORC3 RARB 602/4885RARG 746/4885APP 2712/4885

“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.