SCHEMBL15575588

SCHEMBL15575588

CC(c1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.38
CYP1A2 P05177 2/20 0.38
ALOX5 P09917 1/20 0.37
DEGS1 O15121 1/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
PYCR1 P32322 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
HTR2A P28223 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL16785292 0.80 PTPN5 (0.41) DEGS1ALDH1A1ESR1ESR2CYP2D6
SCHEMBL15961450 0.78 CYP2A6 (0.40) CYP2A6CYP1A2ALOX5PYCR1ALDH1A1
SCHEMBL13852045 0.78 IDO1 (0.39) DEGS1CTSLALDH1A1ESR1ESR2
SCHEMBL10194742 0.78 IDO1 (0.39) DEGS1CTSLALDH1A1ESR1ESR2
SCHEMBL15961481 0.78 CYP2A6 (0.40) CYP2A6CYP1A2ALOX5PYCR1ALDH1A1
SCHEMBL12602992 0.78 CHRNA7 (0.41) ALOX5DEGS1CTSLCTSBCTSS
SCHEMBL2600036 0.78 CYP2A6 (0.40) CYP2A6CYP1A2ALOX5PYCR1ALDH1A1
SCHEMBL7899070 0.76 ESR1 (0.62) CYP1A2DEGS1ALDH1A1ESR1ESR2
SCHEMBL13852046 0.76 ADRB2 (0.50) CYP2A6DEGS1ESR1ESR2HPGD
SCHEMBL2678110 0.76 MEN1 (0.38) DEGS1ALDH1A1ESR1ESR2CA1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111362833-A Dianthracene D-delta-A type deep blue organic fluorescent material and preparation method and application thereof 陕西师范大学 2020-07-03 CN claimed
US-12435054-B2 Therapeutic compounds and methods of use GENENTECH, INC. (US) 2025-10-07 US disclosed
EP-4185386-B1 HETEROCYCLIC INHIBITORS OF TEAD FOR TREATING CANCER GENENTECH INC (US) 2025-01-08 EP disclosed
US-20240208919-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2024-06-27 US disclosed
US-20240208919-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2024-06-27 US disclosed
US-11787775-B2 Therapeutic compounds and methods of use GENENTECH, INC. (US) 2023-10-17 US disclosed
US-11787775-B2 Therapeutic compounds and methods of use GENENTECH, INC. (US) 2023-10-17 US disclosed
US-11787775-B2 Therapeutic compounds and methods of use GENENTECH, INC. (US) 2023-10-17 US disclosed
EP-4185386-A1 HETEROCYCLIC INHIBITORS OF TEAD FOR TREATING CANCER Genentech, Inc. (US) 2023-05-31 EP disclosed
CN-111362833-B Double anthracene D-delta-A type deep blue organic fluorescent material and preparation method and application thereof 陕西师范大学 2023-04-25 CN disclosed
US-20230054741-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2023-02-23 US disclosed
US-20230054741-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2023-02-23 US disclosed
CN-111362833-A Dianthracene D-delta-A type deep blue organic fluorescent material and preparation method and application thereof 陕西师范大学 2020-07-03 CN disclosed
US-9856275-B2 Synthesis and use of fluorinated compounds THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-01-02 US disclosed
US-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 US disclosed
US-20160002270-A1 SYNTHESIS AND USE OF FLUORINATED COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 US disclosed
WO-2014035872-A1 TRICYCLIC ALKYNES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN AMGEN INC. (US) 2014-03-06 WO disclosed
WO-2014035872-A1 TRICYCLIC ALKYNES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN AMGEN INC. (US) 2014-03-06 WO 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-20160002270-A1 SYNTHESIS AND USE OF FLUORINATED COMPOUNDS AFF2, AFF4, AFF1 CYP2A6 141/4885CYP1A2 47/4885ALOX5 800/4885
US-20230054741-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE VHL, NQO1, PCSK9 CYP2A6 1302/4885CYP1A2 1372/4885ALOX5 316/4885
US-20240208919-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE VHL, NQO1, PCSK9 CYP2A6 1302/4885CYP1A2 1372/4885ALOX5 316/4885
US-11787775-B2 Therapeutic compounds and methods of use VHL, NQO1, PCSK9 CYP2A6 1302/4885CYP1A2 1372/4885ALOX5 316/4885
US-12435054-B2 Therapeutic compounds and methods of use VHL, NQO1, PCSK9 CYP2A6 1302/4885CYP1A2 1372/4885ALOX5 316/4885
US-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 CYP2A6 1183/4885CYP1A2 612/4885ALOX5 1171/4885

“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.