SCHEMBL1661825

SCHEMBL1661825

Cc1cc(Br)cc(C)c1C=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.37
PRKDC P78527 1/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 3/20 0.34
NQO2 P16083 1/20 0.32
LMNA P02545 1/20 0.32
CYP2A6 P11509 1/20 0.32
TSHR P16473 1/20 0.32
USP2 O75604 1/20 0.31
ALB P02768 1/20 0.31

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
SCHEMBL17449171 0.84 ERN1 (0.33) ERN1PRKDCCYP3A4MAPT
SCHEMBL22060773 0.84 CYP3A4 (0.36) ERN1PRKDCCYP3A4MAPTALDH1A1
SCHEMBL22587805 0.84 CYP3A4 (0.46) ERN1CYP3A4MAPTUSP2ALB
SCHEMBL31039195 0.84 ERN1 (0.33) ERN1PRKDCCYP3A4MAPT
SCHEMBL23663290 0.84 MEN1 (0.37) ERN1PRKDCCYP3A4MAPTALDH1A1
SCHEMBL27042897 0.83 LMNA (0.34) ERN1CYP3A4MAPTALDH1A1LMNA
SCHEMBL9279963 0.81 ERN1 (0.51) ERN1PRKDCCYP3A4MAPTALDH1A1
SCHEMBL20786945 0.78 ERN1 (0.51) ERN1PRKDCCYP3A4MAPTALDH1A1
SCHEMBL27042696 0.78 KDM4E (0.34) MAPT
SCHEMBL1929437 0.78 ERN1 (0.44) ERN1CYP3A4MAPTALDH1A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102643213-B Preparation method of 3, 5-dimethyl-4-bromomethylbenzonitrile JIMING MEDICAL TECHNOLOGY SUZHOU CO LTD 2014-04-09 CN claimed
CN-102643213-A Preparation method of 3, 5-dimethyl-4-bromomethylbenzonitrile JIMING MEDICAL TECHNOLOGY SUZHOU CO LTD 2012-08-22 CN claimed
CN-122036699-A THR-beta modulators and methods of use thereof 阿利戈斯治疗公司 2026-05-15 CN disclosed
US-12612360-B2 Substituted 6,7-dihydro-5H-benzo[7]annulene compounds and their derivatives, processes for their preparation and therapeutic uses thereof SANOFI (FR) 2026-04-28 US disclosed
US-12595230-B2 Substituted 6,7-dihydro-5H-benzo[7]annulene compounds and their derivatives, processes for their preparation and therapeutic uses thereof SANOFI (FR) 2026-04-07 US disclosed
US-12552771-B2 Carboxylic acid containing azetidinyl compounds for the treatment of neurodegenerative diseases CELGENE CORPORATION (US) 2026-02-17 US disclosed
US-20260022094-A1 Compounds for the Treatment of Neurodegenerative Diseases CELGENE CORPORATION (US) 2026-01-22 US disclosed
EP-4662219-A2 PRODRUGS OF THYROID HORMONE ANALOGS, METHODS OF MAKING AND METHODS OF USING THEREOF ASCLETIS PHARMA (CHINA) CO., LIMITED (HK) 2025-12-17 EP disclosed
US-20250333424-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2025-10-30 US disclosed
EP-4633736-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF S1P5 Celgene Corporation (US) 2025-10-22 EP disclosed
US-20250304561-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF ALIGOS THERAPEUTICS, INC. (US) 2025-10-02 US disclosed
WO-2008021851-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO disclosed
US-6288101-B1 ADMINISTERING COMPOUNDS SUCH AS 2,6-DIMETHYL-4-ISOPROPYLBENZALDEHYDE TO TREAT INDICATIONS WHERE STIMULATION OF SUBTYPES OF THE SEROTONIN RECEPTOR IS IMPLICATED, SUCH AS MIGRAINES VIRGINIA COMMONWEALTH UNIVERSITY 2001-09-11 US disclosed
US-6124338-A TREATING MIGRAINE HEADACHE VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-09-26 US disclosed
US-6048862-A Benzylamidine derivatives with serotonin receptor binding activity VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-04-11 US disclosed
US-5969137-A TREATMENT OF NERVOUS SYSTEM DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-10-19 US disclosed
WO-1998012183-A1 IMIDAZOLES WITH SEROTONIN RECEPTOR BINDING ACTIVITY ALLELIX BIOPHARMACEUTICALS INC. (CA) 1998-03-26 WO disclosed
EP-0103957-B1 SUBSTITUTED BENZYL ESTERS, INTERMEDIATES THEREFOR, PROCESSES FOR THEIR PREPARATION AND THE USE OF THE ESTERS AS PESTICIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1988-04-20 EP disclosed
US-4515808-A INSECTICIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-05-07 US disclosed
EP-0103957-A2 Substituted benzyl esters, intermediates therefor, processes for their preparation and the use of the esters as pesticides NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-03-28 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 (6 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-12612360-B2 Substituted 6,7-dihydro-5H-benzo[7]annulene compounds and their derivatives, processes for their preparation and therapeutic uses thereof ESRRA, FSHR, GPER1 ERN1 1900/4885PRKDC 3652/4885CYP3A4 811/4885
US-20250304561-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF THRB, THRA, TRHR ERN1 1141/4885PRKDC 783/4885CYP3A4 3296/4885
US-20260022094-A1 Compounds for the Treatment of Neurodegenerative Diseases S1PR5, CLN6, S1PR1 ERN1 2388/4885PRKDC 4452/4885CYP3A4 4138/4885
US-12595230-B2 Substituted 6,7-dihydro-5H-benzo[7]annulene compounds and their derivatives, processes for their preparation and therapeutic uses thereof FSHR, CYP19A1, GPER1 ERN1 1115/4885PRKDC 4160/4885CYP3A4 305/4885
US-20250333424-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, IRF3 ERN1 427/4885PRKDC 2300/4885CYP3A4 1549/4885
US-12552771-B2 Carboxylic acid containing azetidinyl compounds for the treatment of neurodegenerative diseases S1PR5, CLN6, SNCA ERN1 3086/4885PRKDC 4235/4885CYP3A4 3718/4885

“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.