SCHEMBL3135339

SCHEMBL3135339

O=C(c1ccccc1CBr)c1ccccc1CBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.41
ALDH1A1 P00352 6/20 0.40
TSHR P16473 4/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPN1 P18031 2/20 0.39
LMNA P02545 1/20 0.39
GSTA1 P08263 1/20 0.38
GSK3B P49841 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1B1 P15121 1/20 0.37
CYP19A1 P11511 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL2280625 0.90 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL3093625 0.87 AKR1C3 (0.55) ALDH1A1TSHRMAPTGAAPTPN1
SCHEMBL30565103 0.84 FOLH1 (0.59) FOLH1ALDH1A1TSHRMAPTALOX15
SCHEMBL2222912 0.84 CES2 (0.41) FOLH1ALDH1A1TSHRALOX15GAA
SCHEMBL445508 0.84 FOLH1 (0.59) FOLH1ALDH1A1TSHRMAPTALOX15
SCHEMBL4440969 0.84 CES2 (0.39) ALDH1A1TSHRMAPTSMN1; SMN2PTPN1
SCHEMBL4445169 0.84 CES2 (0.39) ALDH1A1TSHRMAPTGAASMN1; SMN2
SCHEMBL4441884 0.84 RECQL (0.49) ALDH1A1MAPTALOX15TP53SMN1; SMN2
SCHEMBL4438718 0.84 RECQL (0.45) ALDH1A1TSHRMAPTALOX15TP53
SCHEMBL5502483 0.82 GSTA1 (0.50) ALDH1A1MAPTALOX15LMNAGSTA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-07-18 US disclosed
US-20200352915-A1 CAR ACTIVATOR AGENTS FOR CYCLOPHOSPHAMIDE-BASED TREATMENTS OF CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-11-12 US disclosed
WO-2018236856-A1 CAR ACTIVATOR AGENTS FOR CYCLOPHOSPHAMIDE-BASED TREATMENTS OF CANCER UNIVERSITY OF MARYLAND, BALTIMORE (US) 2018-12-27 WO disclosed
CN-103372461-B Chiral emulsion catalyst as well as preparation method and application thereof DALIAN CHEMICAL PHYSICS INST 2014-12-10 CN disclosed
CN-103372461-A Chiral emulsion catalyst as well as preparation method and application thereof DALIAN CHEMICAL PHYSICS INST 2013-10-30 CN disclosed
US-7642357-B2 Iridium complexes TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-01-05 US disclosed
EP-2061754-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
US-20090036696-A1 IRIDIUM COMPLEXES TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-02-05 US disclosed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO disclosed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 US disclosed
US-6271392-B1 Intermediates useful for the synthesis of 1-arylpyrrole pesticides RHONE-POULENC INC. 2001-08-07 US disclosed
CN-1128755-A Intermediate for synthesis of pesticide RHONE POULENC AGROCHIMIE (FR) 1996-08-14 CN disclosed
EP-0708090-A1 Intermediates useful for the synthesis of pesticides RHONE-POULENC AGROCHIMIE (FR) 1996-04-24 EP disclosed
EP-0435687-B1 Process for isomerization of oxime ethers SUMITOMO CHEMICAL CO (JP) 1995-03-29 EP disclosed
EP-0485069-B1 Process for producing optically active amines SUMITOMO CHEMICAL CO (JP) 1995-02-15 EP disclosed
US-5200561-A PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-04-06 US disclosed
US-5130486-A A ketoximine ether isomerized using a Lewis acid metal halide SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1992-07-14 US disclosed
EP-0485069-A1 Process for producing optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-05-13 EP disclosed
EP-0435687-A2 Process for isomerization of oxime ethers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-07-03 EP disclosed
EP-0005380-B1 PHOTOTROPIC PHOTOSENSITIVE COMPOSITIONS CONTAINING A FLUORAN COLORFORMER Dynachem Corporation (US) 1982-01-06 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-20090036696-A1 IRIDIUM COMPLEXES HAX1, MLX, H1-0 FOLH1 4324/4885ALDH1A1 1340/4885TSHR 1743/4885
US-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer CYP2A6, CYP2B6, CYP4A11 FOLH1 2570/4885ALDH1A1 989/4885TSHR 1963/4885
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS FECH, SLC10A1, SLC40A1 FOLH1 463/4885ALDH1A1 844/4885TSHR 611/4885
US-20200352915-A1 CAR ACTIVATOR AGENTS FOR CYCLOPHOSPHAMIDE-BASED TREATMENTS OF CANCER CYP2A6, CYP2B6, CYP4A11 FOLH1 2570/4885ALDH1A1 989/4885TSHR 1963/4885

“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.