SCHEMBL6300207

SCHEMBL6300207

OC(CBr)c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.55
ADRB1 P08588 2/20 0.55
AOC3 Q16853 1/20 0.55
HIF1A Q16665 3/20 0.53
CYP2D6 P10635 2/20 0.53
NFKB1 P19838 1/20 0.53
BLM P54132 2/20 0.51
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP1A2 P05177 1/20 0.45
NISCH Q9Y2I1 1/20 0.40
CASP1 P29466 1/20 0.39
ACP3 P15309 1/20 0.39
TSHR P16473 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 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
SCHEMBL23571028 1.00 ADRB2 (0.55) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL30430000 1.00 ADRB2 (0.55) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL12061497 0.83 KCNH2 (0.49) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL7468533 0.80 ADRB2 (0.56) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL4298647 0.80 ADRB2 (0.56) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL3489603 0.80 AOC3 (0.61) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL3920493 0.80 ADRB2 (0.56) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL3487656 0.80 AOC3 (0.61) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL2839905 0.80 AOC3 (0.61) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL30839517 0.80 AOC3 (0.61) ADRB2ADRB1AOC3HIF1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116082133-A Synthetic method of tulobuterol 上海医药工业研究院 2023-05-09 CN claimed
CN-111205194-A Preparation method of tulobuterol 山东达因海洋生物制药股份有限公司 2020-05-29 CN claimed
CN-114317620-B Biological preparation method of (R) -2- (2-chlorophenyl) oxirane 上海医药工业研究院 2024-02-02 CN disclosed
CN-112707829-B Toxolol crystal form and preparation method thereof 山东达因海洋生物制药股份有限公司 2023-07-21 CN disclosed
CN-116082133-A Synthetic method of tulobuterol 上海医药工业研究院 2023-05-09 CN disclosed
CN-114317620-A Biological preparation method of (R) -2- (2-chlorphenyl) oxirane 上海医药工业研究院 2022-04-12 CN disclosed
CN-112707829-A Tulobuterol crystal form and preparation method thereof 山东达因海洋生物制药股份有限公司 2021-04-27 CN disclosed
CN-111205194-A Preparation method of tulobuterol 山东达因海洋生物制药股份有限公司 2020-05-29 CN disclosed
WO-2016016118-A1 MICROBIOCIDAL IMIDAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2016-02-04 WO disclosed
US-6943183-B2 5-substituted tetralones as inhibitors of ras farnesyl transferase PFIZER INC (US) 2005-09-13 US disclosed
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase WARNER-LAMBERT COMPANY 2004-03-04 US disclosed
EP-0493617-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE (-)-2-HALO-1-(SUBSTITUTED PHENYL)ETHANOL KANEGAFUCHI CHEMICAL IND (JP) 1999-10-06 EP disclosed
EP-0713848-B1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY (JP) 1999-09-08 EP disclosed
US-5831132-A REDUCING AGENT FROM BORANES AND AMINO ALCOHOLS SUMIKA FINE CHEMICALS COMPANY, LTD. (JP) 1998-11-03 US disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 EP disclosed
EP-0713848-A1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS Company, Limited (JP) 1996-05-29 EP disclosed
US-5266485-A Biosynthesis KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-11-30 US disclosed
EP-0493617-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE (-)-2-HALO-1-(SUBSTITUTED PHENYL)ETHANOL AND (-)-SUBSTITUTED STYRENE OXIDE KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-07-08 EP disclosed
US-4117157-A TREATMENT OF CARDIOVASCULAR DISORDERS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-26 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-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase PTAR1, FNTA, GGPS1 ADRB2 2440/4885ADRB1 866/4885AOC3 3006/4885

“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.