SCHEMBL216488

SCHEMBL216488

BrCCc1ccccc1Br

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.62
IDO1 P14902 2/20 0.48
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 2/20 0.45
GPR52 Q9Y2T5 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
BLM P54132 1/20 0.40
CYP2A13 Q16696 1/20 0.39
PYCR1 P32322 1/20 0.38
ALDH1A1 P00352 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 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
SCHEMBL30584986 1.00 TAAR1 (0.62) TAAR1IDO1TDP1TSHRGPR52
SCHEMBL6738136 0.86 TAAR1 (0.71) TAAR1IDO1TSHRGPR52CYP1A2
SCHEMBL29351396 0.86 TAAR1 (0.71) TAAR1IDO1TSHRGPR52CYP1A2
SCHEMBL216838 0.85 TAAR1 (0.58) TAAR1IDO1TDP1TSHRGPR52
SCHEMBL29653394 0.85 TAAR1 (0.58) TAAR1IDO1TDP1TSHRGPR52
SCHEMBL8071390 0.83 TAAR1 (0.56) TAAR1IDO1TDP1TSHRGPR52
SCHEMBL29982354 0.83 TAAR1 (0.56) TAAR1IDO1TDP1TSHRGPR52
SCHEMBL30600 0.83 TDP1 (0.55) TAAR1IDO1TDP1TSHRCYP1A2
SCHEMBL8070957 0.81 TAAR1 (0.54) TAAR1IDO1TDP1TSHRGPR52
SCHEMBL8062223 0.81 TAAR1 (0.54) TAAR1IDO1TDP1TSHRGPR52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110682640-A Flame-retardant nonwoven fabric 江苏金荣泰新材料科技有限公司 2020-01-14 CN claimed
CN-1680228-A Preparation of high-purity 1,4-diacetylene benzene HUADONG SCIENCE & ENGINEERING (CN) 2005-10-12 CN claimed
US-4292453-A REACTION OF A HALO DERIVATIVE OF BETA-BROMOETHYLBENZENE WITH AQUEOUS ALKALI AND A QUATERNARY PHASE TRANSFER CATALYST MAKHTESHIM CHEMICAL WORKS LTD. (IL) 1981-09-29 US claimed
US-3980722-A Production of bromostyrene, dibromostyrene and alkyl bromides YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 1976-09-14 US claimed
US-3966831-A Production of bromostyrenes YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 1976-06-29 US claimed
CN-117402081-A Aryl substituted amine derivative, preparation method and application thereof 南京医科大学 2024-01-16 CN disclosed
CN-116854685-A Isoxazole-condensed ring derivative, pharmaceutical composition and application 上海赛默罗生物科技有限公司 2023-10-10 CN disclosed
US-11718638-B2 Compounds, compositions and methods for synthesis WAVE LIFE SCIENCES LTD. (SG) 2023-08-08 US disclosed
US-11718638-B2 Compounds, compositions and methods for synthesis WAVE LIFE SCIENCES LTD. (SG) 2023-08-08 US disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
US-4292453-A REACTION OF A HALO DERIVATIVE OF BETA-BROMOETHYLBENZENE WITH AQUEOUS ALKALI AND A QUATERNARY PHASE TRANSFER CATALYST MAKHTESHIM CHEMICAL WORKS LTD. (IL) 1981-09-29 US disclosed
US-4223172-A DEHYDROGENATION HALOGENATIVE WITH PALLADIUM-PHOSPHINE COMPLEX CATALYST GULF RESEARCH & DEVELOPMENT COMPANY (US) 1980-09-16 US disclosed
US-4004016-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1977-01-18 US disclosed
US-4001233-A CNS STIMULANTS, MUSCLE RELAXANTS E. R. SQUIBB & SONS, INC. (US) 1977-01-04 US disclosed
US-3980722-A Production of bromostyrene, dibromostyrene and alkyl bromides YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 1976-09-14 US disclosed
US-3980722-A Production of bromostyrene, dibromostyrene and alkyl bromides YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 1976-09-14 US disclosed
US-3966831-A Production of bromostyrenes YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 1976-06-29 US disclosed
US-3957787-A CENTRAL NERVOUS SYSTEM STIMULANTS, MUSCLE RELAXANTS E. R. SQUIBB & SONS, INC. (US) 1976-05-18 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-11718638-B2 Compounds, compositions and methods for synthesis ALKBH1, DUT, RNGTT TAAR1 3265/4885IDO1 525/4885TDP1 366/4885

“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.