SCHEMBL440244

SCHEMBL440244

Brc1ccc(C(c2ccc(Br)cc2)(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.57
CA2 P00918 4/20 0.42
CA1 P00915 3/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 2/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
OGG1 O15527 1/20 0.35
CYP19A1 P11511 1/20 0.33
HTR2A P28223 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
IDO1 P14902 1/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
SLC22A3 O75751 1/20 0.32

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
SCHEMBL28912876 1.00 CYP2A6 (0.57) CYP2A6CA2CA1CA5ACA9
SCHEMBL2700861 0.91 ALDH1A1 (0.52) CYP2A6CA2CA1CA5ACA9
SCHEMBL3956177 0.88 ALDH1A1 (0.53) CYP2A6CA2CA1CA5ACA9
SCHEMBL3083376 0.88 ALDH1A1 (0.53) CYP2A6CA2CA1CA5ACA9
SCHEMBL17941356 0.88 ALDH1A1 (0.53) CYP2A6CA2CA1CA5ACA9
SCHEMBL3079657 0.86 CYP2A6 (0.42) CYP2A6CA2CA1CA5ACA9
SCHEMBL13149684 0.86 MEN1 (0.42) CYP2A6CA2CA1CA5ACA9
SCHEMBL13149673 0.86 ALOX15 (0.68) CYP2A6CA2CA1CA5ACA9
SCHEMBL452831 0.86 ALDH1A1 (0.68) CYP2A6CA2CA1CA5ACA9
SCHEMBL3092338 0.86 CYP2A6 (0.42) CYP2A6CA2CA1CA5ACA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12274998-B2 Three-dimensional alkynyl-containing porous aromatic framework polymer and preparation method and use thereof NANCHANG HANGKONG UNIVERSITY (CN) 2025-04-15 US claimed
US-12064748-B2 Iron detection and remediation with a functionalized porous polymer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-08-20 US claimed
US-20230234027-A1 THREE-DIMENSIONAL ALKYNYL-CONTAINING POROUS AROMATIC FRAMEWORK POLYMER AND PREPARATION METHOD AND USE THEREOF NANCHANG HANGKONG UNIVERSITY (CN) 2023-07-27 US claimed
US-20220001357-A1 Iron Detection And Remediation With A Functionalized Porous Polymer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-01-06 US claimed
WO-2021154150-A1 METHOD FOR PRODUCING A FILM OF A 3D POROUS AROMATIC FRAMEWORK BOERJESSON KARL (SE) 2021-08-05 WO claimed
WO-2020214414-A1 IRON DETECTION AND REMEDIATION WITH A FUNCTIONALIZED POROUS POLYMER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-10-22 WO claimed
US-20030055278-A1 Soluble tetrahedral compounds for use in electroluminescent devices NATIONAL SCIENCE FOUNDATION 2003-03-20 US claimed
WO-2001083410-A1 SOLUBLE TETRAHEDRAL COMPOUNDS FOR USE IN ELECTROLUMINESCENT DEVICES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-11-08 WO claimed
US-20260102764-A1 CHROMIUM AND ARSENIC SEPARATIONS USING POROUS ORGANIC FRAMEWORKS UNIV CALIFORNIA (US) 2026-04-16 US disclosed
US-20250360741-A1 COMPOSITION AND USE OF PROGRAMABLE PARTICLES DIAMETRYX INC. 2025-11-27 US disclosed
US-20250214042-A1 MEMBRANES INCORPORATED WITH POROUS POLYMER FRAMEWORKS U.S. DEPARTMENT OF ENERGY 2025-07-03 US disclosed
US-20250154085-A1 Organic Compound And Organic Light-Emitting Device Comprising Same P&H TECH CO., LTD (KR) 2025-05-15 US disclosed
EP-4537155-A1 COMPOSITION AND USE OF PROGRAMABLE PARTICLES DIAMETRYX INC. (US) 2025-04-16 EP disclosed
US-12274998-B2 Three-dimensional alkynyl-containing porous aromatic framework polymer and preparation method and use thereof NANCHANG HANGKONG UNIVERSITY (CN) 2025-04-15 US disclosed
US-20030055278-A1 Soluble tetrahedral compounds for use in electroluminescent devices NATIONAL SCIENCE FOUNDATION 2003-03-20 US disclosed
EP-1215739-A2 Organic electroluminescent device LG ELECTRONICS INC. (KR) 2002-06-19 EP disclosed
US-20020071964-A1 Organic electroluminescent device LG ELECTRONICS INC. 2002-06-13 US disclosed
WO-2001083410-A1 SOLUBLE TETRAHEDRAL COMPOUNDS FOR USE IN ELECTROLUMINESCENT DEVICES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-11-08 WO disclosed
US-5308877-A Resins with high surface areas and porosities E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-05-03 US disclosed
US-4987157-A Resins with high surface areas and porosities E. I. DUPONT DE NEMOURS AND COMPANY (US) 1991-01-22 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-20250154085-A1 Organic Compound And Organic Light-Emitting Device Comprising Same TYR, CACNA2D4, OCIAD1 CYP2A6 1788/4885CA2 3298/4885CA1 3807/4885
US-20260102764-A1 CHROMIUM AND ARSENIC SEPARATIONS USING POROUS ORGANIC FRAMEWORKS CRKL, AS3MT, ASH2L CYP2A6 2835/4885CA2 290/4885CA1 170/4885
US-20030055278-A1 Soluble tetrahedral compounds for use in electroluminescent devices PAX3, EPCAM, PAXBP1 CYP2A6 4373/4885CA2 2116/4885CA1 1315/4885

“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.