SCHEMBL326339

SCHEMBL326339

COc1ccc2c(c1)C=CC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
METAP1 P53582 2/20 0.40
GAA P10253 1/20 0.39
BCL2 P10415 1/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA14 Q9ULX7 2/20 0.39
ACHE P22303 1/20 0.39
CHRNA7 P36544 1/20 0.39
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL21335774 0.85 GAA (0.36) DRD2DRD3DRD1DRD5METAP1
SCHEMBL31463289 0.84 GAA (0.50) DRD2DRD3DRD1DRD5METAP1
SCHEMBL4133299 0.84 GAA (0.50) DRD2DRD3DRD1DRD5METAP1
SCHEMBL3844075 0.83 METAP1 (0.44) DRD2DRD3DRD1DRD5METAP1
SCHEMBL15540347 0.81 MTNR1A (0.43) CYP19A1CYP11B1
SCHEMBL30134456 0.81 MPO (0.42) DRD2DRD3DRD1DRD5METAP1
SCHEMBL1478437 0.81 MPO (0.42) DRD2DRD3DRD1DRD5METAP1
SCHEMBL4173550 0.80 FYN (0.32)
SCHEMBL30218170 0.79 ALDH1A1 (0.40) GAACA12CA9
SCHEMBL876228 0.78 MMP2 (0.35) CA2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208932-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-06-27 US disclosed
US-11999819-B2 Formulation containing a highly branched polymer, highly branched polymer and electro-optical device containing this highly branched polymer MERCK PATENT GMBH (DE) 2024-06-04 US disclosed
US-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2023-07-13 US disclosed
US-20230159766-A1 CONDUCTIVE POLYMER COMPOSITION, SUBSTRATE, AND METHOD FOR PRODUCING SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
US-20230159456-A1 N-SUBSTITUTED INDOLES TERRAN BIOSCIENCES INC (US) 2023-05-25 US disclosed
US-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2022-08-30 US disclosed
US-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2022-08-30 US disclosed
US-11208509-B2 Polymer compound for conductive polymer and method for producing same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-12-28 US disclosed
US-20210380738-A1 CONDUCTIVE POLYMER COMPOSITION, SUBSTRATE, AND METHOD FOR PRODUCING SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-12-09 US disclosed
US-20210277176-A1 FORMULATION CONTAINING A HIGHLY BRANCHED POLYMER, HIGHLY BRANCHED POLYMER AND ELECTRO-OPTICAL DEVICE CONTAINING THIS HIGHLY BRANCHED POLYMER MERCK PATENT GMBH (DE) 2021-09-09 US disclosed
EP-0505972-B1 Process for producing styrenic copolymer IDEMITSU KOSAN CO (JP) 1997-06-11 EP disclosed
US-5612462-A Process for preparing bridged stereorigid metallocenes WITCO GMBH (DE) 1997-03-18 US disclosed
US-5545785-A Process for preparing biscyclopentadienyl compounds WITCO GMBH (DE) 1996-08-13 US disclosed
US-5543535-A Organotin compounds useful in preparing bridged stereorigid metallocenes WITCO GMBH (DE) 1996-08-06 US disclosed
EP-0692486-A2 Bisindenyl derivative and process for its preparation HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-17 EP disclosed
US-5217966-A Synthetic drug molecules that mimic metalloenzymes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-06-08 US disclosed
US-5202317-A SYNTHETIC DRUG MOLECULES THAT MIMIC METALLOENZYMES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-04-13 US disclosed
EP-0505972-A2 Process for producing styrenic copolymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-09-30 EP disclosed
US-4985576-A Bisindenyl derivative, and a process for the preparation thereof HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-15 US disclosed
EP-0376154-A2 Bisindenyl derivative and method for its preparation HOECHST AKTIENGESELLSCHAFT (DE) 1990-07-04 EP 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-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 DRD2 505/4885DRD3 444/4885DRD1 872/4885
US-20240208932-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF GPER1, ESR1, ESRRA DRD2 674/4885DRD3 458/4885DRD1 583/4885
US-20230159456-A1 N-SUBSTITUTED INDOLES TPH2, TPH1, AANAT DRD2 185/4885DRD3 391/4885DRD1 538/4885
US-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF GAP43, SLC18A2, PNMT DRD2 57/4885DRD3 98/4885DRD1 102/4885

“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.