SCHEMBL248963

SCHEMBL248963

CCC(C)c1cccc(C(C)C)c1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 0.71
GABRB1 P18505 5/20 0.71
GABRB2 P47870 4/20 0.71
TSHR P16473 2/20 0.71
GABRG2 P18507 2/20 0.71
GABRB3 P28472 2/20 0.71
CA1 P00915 2/20 0.71
CA2 P00918 2/20 0.71
CYP1A2 P05177 2/20 0.71
CYP3A4 P08684 2/20 0.71
FAAH O00519 1/20 0.71
LMNA P02545 1/20 0.71
HPGD P15428 1/20 0.71
PTGS1 P23219 1/20 0.71
SLC6A2 P23975 1/20 0.71
HTR2C P28335 1/20 0.71
GABRA5 P31644 1/20 0.71
GABRA3 P34903 1/20 0.71
HTR2B P41595 1/20 0.71
GABRA2 P47869 1/20 0.71

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
SCHEMBL249198 1.00 GABRA1 (0.71) GABRA1GABRB1GABRB2TSHRGABRG2
SCHEMBL249795 1.00 GABRA1 (0.71) GABRA1GABRB1GABRB2TSHRGABRG2
SCHEMBL560318 0.94 TSHR (0.68) GABRA1GABRB1GABRB2TSHRGABRG2
SCHEMBL560346 0.94 TSHR (0.68) GABRA1GABRB1GABRB2TSHRGABRG2
SCHEMBL202738 0.94 TSHR (0.68) GABRA1GABRB1GABRB2TSHRGABRG2
SCHEMBL561299 0.94 TSHR (0.68) GABRA1GABRB1GABRB2TSHRGABRG2
Hydrochloric Acid SCHEMBL7076051 0.91 TSHR (0.65) GABRA1GABRB1GABRB2TSHRGABRG2
Hydrochloric Acid SCHEMBL6039756 0.89 TSHR (0.63) GABRA1GABRB1GABRB2TSHRGABRG2
SCHEMBL21767240 0.87 TSHR (0.54) GABRA1GABRB1GABRB2TSHRGABRG2
SCHEMBL9167214 0.85 GABRA1 (0.74) GABRA1GABRB1GABRB2TSHRGABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4306598-A2 SCHIFF BASE OLIGOMERS The Boeing Company (US) 2024-01-17 EP disclosed
WO-2021178738-A1 SCHIFF BASE OLIGOMERS THE BOEING COMPANY (US) 2021-09-10 WO disclosed
CN-108558685-B 2, 6-disubstituted phenol meglumine derivative and application thereof 西安力邦制药有限公司 2020-11-20 CN disclosed
CN-108558685-A 2,6- disubstituted benzenes phenol meglumine analog derivative and application 西安力邦制药有限公司 2018-09-21 CN disclosed
US-20160367442-A1 ORAL DRUG DELIVERY DEVICE AND METHODS OF USING THE SAME UNIVERSITY OF IOWA RESEARCH FOUNDATION 2016-12-22 US disclosed
US-20130217783-A1 Therapeutic Compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-08-22 US disclosed
US-20130217783-A1 Therapeutic Compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-08-22 US disclosed
US-20130217783-A1 Therapeutic Compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-08-22 US disclosed
US-8350097-B2 Therapeutic compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-01-08 US disclosed
US-8350097-B2 Therapeutic compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-01-08 US disclosed
EP-2392559-A1 Therapeutic compounds Pharmacofore, Inc. (US) 2011-12-07 EP disclosed
US-20100249246-A1 Therapeutic Compounds PHARMACOFORE, INC. (US) 2010-09-30 US disclosed
US-20100249246-A1 Therapeutic Compounds PHARMACOFORE, INC. (US) 2010-09-30 US disclosed
US-20100249246-A1 Therapeutic Compounds PHARMACOFORE, INC. (US) 2010-09-30 US disclosed
CN-101687746-A therapeutic compounds PHARMACOFORE INC 2010-03-31 CN disclosed
EP-2152651-A1 THERAPEUTIC COMPOUNDS Pharmacofore, Inc. (US) 2010-02-17 EP disclosed
WO-2008141099-A1 THERAPEUTIC COMPOUNDS PHARMACOFORE, INC. (US) 2008-11-20 WO disclosed
WO-2008141099-A1 THERAPEUTIC COMPOUNDS PHARMACOFORE, INC. (US) 2008-11-20 WO disclosed
US-4628127-A Heterogeneous catalytic alkylation ETHYL CORPORATION (US) 1986-12-09 US disclosed
US-3933927-A Phenol transalkylation process ETHYL CORPORATION (US) 1976-01-20 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-20130217783-A1 Therapeutic Compounds OPRM1, OGFR, UGT1A1 GABRA1 202/4885GABRB1 189/4885GABRB2 262/4885
US-20100249246-A1 Therapeutic Compounds OPRM1, OGFR, UGT1A1 GABRA1 202/4885GABRB1 189/4885GABRB2 262/4885

“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.