SCHEMBL5905850

SCHEMBL5905850

BrC=C(Br)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CES2 O00748 2/20 0.39
TSHR P16473 2/20 0.39
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPK1 P28482 2/20 0.39
AKT1 P31749 1/20 0.37
PTPN1 P18031 1/20 0.37
GSK3B P49841 1/20 0.37
F2 P00734 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
BLM P54132 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
F10 P00742 1/20 0.36
F12 P00748 1/20 0.36
F7 P08709 1/20 0.36

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
SCHEMBL5905848 1.00 CES1 (0.39) CES1ALDH1A1CES2TSHRDAO
SCHEMBL11365790 0.78 CES2 (0.39) CES1ALDH1A1CES2TSHRDAO
SCHEMBL16933770 0.78 CES2 (0.39) CES1ALDH1A1CES2TSHRDAO
SCHEMBL9194347 0.78 CES2 (0.39) CES1ALDH1A1CES2TSHRDAO
SCHEMBL1792813 0.76 AKT1 (0.41) CES1ALDH1A1CES2TSHRDAO
SCHEMBL16634441 0.76 MAPT (0.44) ALDH1A1TSHRMAPK1PTPN1CYP3A4
SCHEMBL1792814 0.76 AKT1 (0.41) CES1ALDH1A1CES2TSHRDAO
SCHEMBL1444874 0.74 ALDH1A1 (0.43) CES1ALDH1A1CES2TSHRDAO
SCHEMBL11496472 0.74 CES1 (0.36) CES1ALDH1A1CES2TSHRDAO
SCHEMBL4456359 0.74 AKR1C1 (0.50) ALDH1A1TSHRMAPK1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020049268-A1 Flame retardant molding compositions having improved flow WHITE ROGER J (US) 2002-04-25 US claimed
CN-115197046-B Halogenation method of unsaturated hydrocarbon 华南理工大学 2023-12-15 CN disclosed
CN-115197046-A Halogenation method of unsaturated hydrocarbon 华南理工大学 2022-10-18 CN disclosed
CN-109265325-A A kind of bis- bromo alkenes compounds of 1,2- and its preparation method and application 广东工业大学 2019-01-25 CN disclosed
CN-108129260-A A kind of synthetic method of styrene glycol 常州南京大学高新技术研究院 2018-06-08 CN disclosed
CN-107754860-A A kind of catalyst, preparation method and applications for preparing the ethylene glycol of 1 phenyl 1,2 from styrene for one kettle way 上海应用技术大学 2018-03-06 CN disclosed
WO-2006110697-A2 SYNTHESIS OF HYDROXYLATED HYDROCARBONS GRT, INC. (US) 2006-10-19 WO disclosed
US-20060229475-A1 Synthesis of hydroxylated hydrocarbons REACTION 35, LLC 2006-10-12 US disclosed
EP-1426412-A2 Impact modified thermoplastic polycarbonate molding composition Bayer Corporation (US) 2004-06-09 EP disclosed
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 US disclosed
EP-0135904-B1 POLYETHYLENE TEREPHTHALATE/POLYCARBONATE BLENDS HAVING A LOW LEVEL OF WARPAGE MOBAY CORPORATION (US) 1987-07-29 EP disclosed
EP-0108996-B1 THERMOPLASTIC RESINOUS BLEND HAVING AN IMPROVED IMPACT PERFORMANCE MOBAY CORPORATION (US) 1986-09-10 EP disclosed
US-4554314-A Thermoplastic molding compositions MOBAY CHEMICAL CORPORATION (US) 1985-11-19 US disclosed
US-4554315-A POLYESTER, POLYCARBONATE, GRAFT POLYMER, POLYMERIC EPOXIDE MOBAY CHEMICAL CORPORATION (US) 1985-11-19 US disclosed
US-4551502-A Macromolecular complexes of amidocarbonylic water-soluble polymers and square platinous and equivalent organometallics HOWELL BOBBY A 1985-11-05 US disclosed
EP-0135904-A2 Polyethylene terephthalate/polycarbonate blends having a low level of warpage MOBAY CORPORATION (US) 1985-04-03 EP disclosed
US-4487881-A ACRYLONITRILE-BUTADIENE- STYRENE TERPOLYMER A MALEIC ANHYDRIDE COPOLYMER AND GLASS FIBERS MOBAY CHEMICAL CORPORATION (US) 1984-12-11 US disclosed
US-4466912-A FLAKES IN BLEND OF POLYCARBONATE AND AN ABS GRAFT TERPOLYMER MOBAY CHEMICAL CORPORATION (US) 1984-08-21 US disclosed
EP-0108996-A1 Thermoplastic resinous blend having an improved impact performance MOBAY CORPORATION (US) 1984-05-23 EP disclosed
US-4405757-A Macromolecular complexes of amidocarbonylic water-soluble polymers and square planar platinous and equivalent organometallics HOWELL BOBBY A 1983-09-20 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 (1 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-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use DDT, CBR3, CYP1B1 CES1 1212/4885ALDH1A1 1119/4885CES2 700/4885

“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.