Sugi Predict

Sugi Predict / Compounds / SCHEMBL5885289

SCHEMBL5885289

SCHEMBL5885289

BrCc1ccc(Cc2ccc(CBr)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ TSHR P16473 4/20 0.56
▸ TRPA1 O75762 1/20 0.56
▸ CYP3A4 P08684 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ CALM1 P0DP23 1/20 0.44
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ HPGD P15428 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TASP1 Q9H6P5 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ADRA2A P08913 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
SCHEMBL131361 0.89 ALDH1A1 (0.67) ALDH1A1TSHRTRPA1CYP3A4TDP1
SCHEMBL712948 0.88 TRPA1 (0.78) ALDH1A1TSHRTRPA1TDP1CALM1
SCHEMBL11466312 0.86 ESR1 (0.74) ALDH1A1TSHRTRPA1CYP3A4TDP1
Bromide SCHEMBL29980639 0.85 ALDH1A1 (0.62) ALDH1A1TSHRTRPA1CYP3A4TDP1
SCHEMBL24197431 0.82 CYP2A6 (0.42) ALDH1A1TSHRTRPA1CYP3A4CES2
SCHEMBL11456233 0.80 LTA4H (0.65) ALDH1A1TSHRCYP3A4SMN1; SMN2TP53
SCHEMBL679626 0.79 TSHR (0.56) ALDH1A1TSHRTRPA1ESR1ESR2
SCHEMBL9609757 0.79 TSHR (0.56) ALDH1A1TSHRTRPA1ESR1ESR2
SCHEMBL2220712 0.79 TRPA1 (0.56) ALDH1A1TSHRTRPA1TDP1ESR1
Trimethylammonium SCHEMBL3792932 0.76 ALDH1A1 (0.53) ALDH1A1TSHRTRPA1CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118085362-B Thermoplastic polyimide film, preparation method and application 安徽国风新材料股份有限公司 2024-07-09 — — CN claimed
CN-118085362-A Thermoplastic polyimide film, preparation method and application 安徽国风新材料股份有限公司 2024-05-28 — — CN claimed
US-4070340-A GREEN STRENGTH POLYSAR LIMITED (CA) 1978-01-24 — — US claimed
CN-118085362-B Thermoplastic polyimide film, preparation method and application 安徽国风新材料股份有限公司 2024-07-09 — — CN disclosed
CN-118085362-A Thermoplastic polyimide film, preparation method and application 安徽国风新材料股份有限公司 2024-05-28 — — CN disclosed
CN-109689651-B Novel chiral phase transfer catalyst and method for preparing alpha-amino acid by using same 莫瓦斯有限责任公司 2022-04-26 — — CN disclosed
US-10696621-B2 Chiral phase-transfer catalyst and method for preparing alpha-amino acid by using the same UNIV YEUNGNAM RES COOPERATION FOUNDATION (KR) 2020-06-30 — — US disclosed
US-20190292133-A1 NOVEL CHIRAL PHASE-TRANSFER CATALYST, AND METHOD FOR PREPARING A-AMINO ACID BY USING SAME UNIV YEUNGNAM RES COOPERATION FOUNDATION (KR) 2019-09-26 — — US disclosed
CN-109689651-A Novel chiral phase transfer catalyst and the method for preparing a-amino acid using it 岭南大学校产学协力团 2019-04-26 — — CN disclosed
EP-3459947-A1 NOVEL CHIRAL PHASE-TRANSFER CATALYST, AND METHOD FOR PREPARING -AMINO ACID BY USING SAME Research Cooperation Foundation of Yeungnam University (KR) 2019-03-27 — — EP disclosed
WO-2017200184-A1 NOVEL CHIRAL PHASE-TRANSFER CATALYST, AND METHOD FOR PREPARING Α-AMINO ACID BY USING SAME 영남대학교 산학협력단 2017-11-23 — — WO disclosed
EP-0244320-B1 PROCESS FOR THE PHOTOCHEMICAL CLEAVAGE OF NUCLEIC ACIDS BY 2,7-DIAZAPYRENIUM DICATIONS, AND DIAZAPYRENE DERIVATIVES CIS BIO INTERNATIONAL (FR) 1992-07-08 — — EP disclosed
US-4925937-A VISIBLE LIGHT WITHOUT PHOTOSENSITIZERS COMPAGNIE ORIS INDUSTRIE (FR) 1990-05-15 — — US disclosed
WO-1987006584-A1 METHOD FOR THE PHOTOCLEAVAGE OF NUCLEIC ACIDS BY USING 2,7-DIAZAPYRENIUM DICATIONS, NEW DIAZAPYRENIC DERIVATIVES COMPAGNIE ORIS INDUSTRIE (FR) 1987-11-05 — — WO disclosed
EP-0244320-A1 Process for the photochemical cleavage of nucleic acids by 2,7-diazapyrenium dications, and diazapyrene derivatives CIS BIO INTERNATIONAL (FR) 1987-11-04 — — EP disclosed
US-4675355-A REACTIVE AMINE-CONTAINING NITROSO COMPOUND AND AN HALOGENATED ALKYLBENZENE TO IMPROVE GREEN STRENGTH; TIRES BRIDGESTONE CORPORATION (JP) 1987-06-23 — — US disclosed
US-4259460-A BLENDS OF POLYMERS OF VINYL CHLORIDE, ACRYLONITRILE-BUTADIENE, AND BUTADIENE-STYRENE-TERTIARY AMINE POLYSAR LIMITED (CA) 1981-03-31 — — US disclosed
US-4130579-A Bis(2-methyl-2-cyanopropyl) aromatics E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-12-19 — — US disclosed
US-4070340-A GREEN STRENGTH POLYSAR LIMITED (CA) 1978-01-24 — — US disclosed
US-3947471-A CHROMOGENIC SUMITOMO CHEMICAL COMPANY, LTD. (JA) 1976-03-30 — — 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 (2 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-20190292133-A1 NOVEL CHIRAL PHASE-TRANSFER CATALYST, AND METHOD FOR PREPARING A-AMINO ACID BY USING SAME BCAT1, AADAT, ATIC ALDH1A1 673/4885TSHR 4552/4885TRPA1 4335/4885
US-10696621-B2 Chiral phase-transfer catalyst and method for preparing alpha-amino acid by using the same BCAT1, AADAT, CPN1 ALDH1A1 871/4885TSHR 4360/4885TRPA1 4614/4885

“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.