SCHEMBL458285

SCHEMBL458285

COc1c(O)cccc1C(C)C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.56
GABRB2 P47870 2/20 0.56
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
TSHR P16473 3/20 0.52
LMNA P02545 2/20 0.52
CYP3A4 P08684 2/20 0.52
HPGD P15428 2/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
FAAH O00519 1/20 0.52
CYP1A2 P05177 1/20 0.52
GABRB1 P18505 1/20 0.52
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
HTR2C P28335 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
HTR2B P41595 1/20 0.52
GABRA2 P47869 1/20 0.52

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
SCHEMBL5548772 0.84 GABRA1 (0.50) GABRA1GABRB2CA1CA2TSHR
SCHEMBL16950843 0.84 CA1 (0.46) GABRA1GABRB2CA1CA2TSHR
SCHEMBL11039264 0.83 CA1 (0.48) GABRA1GABRB2CA1CA2TSHR
SCHEMBL11040447 0.83 GABRA1 (0.56) GABRA1GABRB2CA1CA2TSHR
SCHEMBL28998308 0.82 CA1 (0.47) GABRA1GABRB2CA1CA2TSHR
2-Methoxyresorcinol SCHEMBL69297 0.79 CA2 (0.61) CA1CA2TSHRLMNACYP3A4
SCHEMBL7149154 0.77 ADRA2A (0.47) CA1CA2LMNACYP3A4HPGD
SCHEMBL6062443 0.77 GABRA1 (0.53) GABRA1GABRB2CA1CA2TSHR
SCHEMBL28789370 0.77 PABPC1 (0.46) GABRA1GABRB2CA1CA2TSHR
SCHEMBL16961291 0.77 CA1 (0.47) GABRA1GABRB2CA1CA2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210024498-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF MEDICONNS SHANGHAI BIOPHARMACEUTICAL CO LTD (CN) 2021-01-28 US disclosed
US-9579325-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2017-02-28 US disclosed
CN-103370318-B The Imidazopyridazine replaced BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-20 CN disclosed
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed
US-20130338133-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-19 US disclosed
CN-103370318-A Substituted imidazopyridazines BAYER IP GMBH 2013-10-23 CN disclosed
EP-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP disclosed
WO-1984000566-A1 IMPROVED CELL FOR ELECTROLYTIC PRODUCTION OF ALUMINUM MARTIN MARIETTA CORP (US) 1984-02-16 WO disclosed
WO-1984000565-A1 ALUMINUM CATHODE COATING CURE CYCLE MARTIN MARIETTA CORP (US) 1984-02-16 WO disclosed
EP-0096282-A2 Light-sensitive compounds for positive photoresist materials MERCK PATENT GmbH (DE) 1983-12-21 EP disclosed
EP-0043953-B1 ALUMINIUM TRIHYDRATE MODIFIED ZINC-RICH COATINGS UNION CARBIDE CORPORATION (US) 1983-11-09 EP disclosed
US-4370382-A CONTAINING EPOXY RESIN, ZINC PIGMENTS AND ZINC PHOSPHOSILICATE CORROSION RESISTANCE UNION CARBIDE CORPORATION (US) 1983-01-25 US disclosed
EP-0070008-A2 Aluminum thrihydrate modified zinc-rich coatings UNION CARBIDE CORPORATION (US) 1983-01-19 EP disclosed
EP-0043953-A2 Aluminium trihydrate modified zinc-rich coatings UNION CARBIDE CORPORATION (US) 1982-01-20 EP disclosed
US-4294911-A AND A QUATERNARY ALKANOL AMMONIUM HYDROXIDE DEVELOPING AGENT EASTMAN KODAK COMPANY (US) 1981-10-13 US disclosed
US-4141733-A Development of light-sensitive quinone diazide compositions EASTMAN KODAK COMPANY (US) 1979-02-27 US disclosed
US-4115128-A Positive image forming radiation sensitive compositions containing diazide compound and organic cyclic anhydride FUJI PHOTO FILM CO., LTD. (JP) 1978-09-19 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-20210024498-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF PRLHR, DRD2, AVPR2 GABRA1 91/4885GABRB2 254/4885CA1 4660/4885
US-20130338133-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BUB1, TTBK1, BUB1B GABRA1 2772/4885GABRB2 3757/4885CA1 4722/4885

“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.