SCHEMBL1884477

SCHEMBL1884477

CCCCCCc1ccc(C=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.57
▸ ADRA2A P08913 2/20 0.57
▸ ADORA3 P0DMS8 2/20 0.57
▸ TACR2 P21452 2/20 0.57
▸ SLC6A2 P23975 2/20 0.57
▸ SLC6A4 P31645 2/20 0.57
▸ SLC6A3 Q01959 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ SHBG P04278 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ HSPD1 P10809 1/20 0.57
▸ ADRB3 P13945 1/20 0.57
▸ HTR2C P28335 1/20 0.57
▸ HSPE1 P61604 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ TST Q16762 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57

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
SCHEMBL19029843 1.00 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL2120077 1.00 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9026740 1.00 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL1872841 1.00 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL1876234 1.00 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL6067892 1.00 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL11811560 1.00 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL177373 1.00 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL20594193 1.00 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL11435136 1.00 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119529646-A Steel ball valve 温州市海格阀门有限公司 2025-02-28 — — CN claimed
US-20150119251-A1 AGRICULTURAL PLANT-PROTECTING AGENTS CONTAINING DIPEPTIDE DERIVATIVE AS ACTIVE INGREDIENT REPUBLIC OF KOREA (RURAL DEVELOPMENT ADMINISTRATION) (KR) 2015-04-30 — — US claimed
EP-0849289-B1 HYDROLYZABLE RESIN CONTAINING ALDEHYDE BONDED THERETO AND SELF-POLISHING ANTIFOULING PAINT NIPPON PAINT CO LTD (JP) 2002-11-27 — — EP claimed
US-5914357-A VINYL POLYMER HAVING PRIMARY AMINO GROUPS IN THE FORM OF SCHIFF BASE NIPPON PAINT CO., LTD. (JP) 1999-06-22 — — US claimed
EP-0849289-A1 HYDROLYZABLE RESIN CONTAINING ALDEHYDE BONDED THERETO AND SELF-POLISHING ANTIFOULING PAINT NIPPON PAINT CO., LTD. (JP) 1998-06-24 — — EP claimed
US-5185028-A N-acyl loline derivatives as insecticides and herbicides THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1993-02-09 — — US claimed
US-4582903-A Synthesis of unsaturated hydantoins with an inexpensive catalyst STAUFFER CHEMICAL COMPANY (US) 1986-04-15 — — US claimed
US-4345072-A Process for the production of 5-arylidene hydantoins (B) DEGUSSA AG (DE) 1982-08-17 — — US claimed
US-4180475-A POSITIVE ANISOTROPY OF DIELECTRIC CONSTANTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-12-25 — — US claimed
US-12433853-B2 Rationally designed lawsone derivatives as antimicrobials against multidrug-resistant Staphylococcus aureus KENT STATE UNIVERSITY (US) 2025-10-07 — — US disclosed
EP-3936192-B1 PYRROLOPYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2025-04-09 — — EP disclosed
US-12240855-B2 Pyrrolopyrazole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-03-04 — — US disclosed
CN-119529646-A Steel ball valve 温州市海格阀门有限公司 2025-02-28 — — CN disclosed
CN-119529646-A Steel ball valve 温州市海格阀门有限公司 2025-02-28 — — CN disclosed
US-4058477-A P-((P-ALKYLBENZYLIDEN)AMINO)-BENZONITRILE HOFFMANN-LA ROCHE INC. (US) 1977-11-15 — — US disclosed
US-4058563-A Novel schiff bases THE UPJOHN COMPANY (US) 1977-11-15 — — US disclosed
US-4026943-A Novel process THE UPJOHN COMPANY (US) 1977-05-31 — — US disclosed
US-4020104-A Process for isomerizing cis,cis- and cis,trans-isomers of di-(p-aminocyclohexyl)methane to the corresponding trans,trans-isomer THE UPJOHN COMPANY (US) 1977-04-26 — — US disclosed
US-3997536-A LIQUID CRYSTALS HOFFMANN-LA ROCHE INC. (US) 1976-12-14 — — US disclosed
US-3963313-A Liquid crystal Schiffs bases HOFFMANN-LA ROCHE INC. (US) 1976-06-15 — — 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-20150119251-A1 AGRICULTURAL PLANT-PROTECTING AGENTS CONTAINING DIPEPTIDE DERIVATIVE AS ACTIVE INGREDIENT PEPD, DNPEP, DPP7 ESR1 4764/4885ADRA2A 4507/4885ADORA3 3622/4885
US-12240855-B2 Pyrrolopyrazole derivative PTDSS1, PTDSS2, SMPD1 ESR1 3756/4885ADRA2A 4728/4885ADORA3 3641/4885
US-12433853-B2 Rationally designed lawsone derivatives as antimicrobials against multidrug-resistant Staphylococcus aureus RPS6KA5, RPS25, RPS26 ESR1 2998/4885ADRA2A 1888/4885ADORA3 1590/4885

“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.

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