SCHEMBL933385

SCHEMBL933385

Cc1cccc(C[Mg]Br)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
IDO1 P14902 2/20 0.48
ACHE P22303 1/20 0.46
MAOB P27338 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
CTBP2 P56545 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DAO P14920 1/20 0.39

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
SCHEMBL11151588 0.79 TAAR1 (0.57) TAAR1IDO1ACHEMAOBALDH1A1
SCHEMBL5253754 0.78 TAAR1 (0.50) TAAR1IDO1ACHEMAOBALDH1A1
SCHEMBL559361 0.78 TAAR1 (0.55) TAAR1IDO1ACHEMAOBHRH3
SCHEMBL1004333 0.77 ALDH1A1 (0.39) ALDH1A1CYP11B1CYP11B2
SCHEMBL613603 0.76 TAAR1 (0.52) TAAR1IDO1MAOBALDH1A1MAPK1
SCHEMBL5247988 0.75 GRIN2D (0.40) TAAR1MEN1KMT2A
SCHEMBL30589449 0.75
SCHEMBL177507 0.75
SCHEMBL1001014 0.74 PNMT (0.54) TAAR1IDO1MAOB
SCHEMBL1538033 0.74 TAAR1 (0.50) TAAR1IDO1MAOBALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 WO claimed
US-20260132149-A1 Bridged Cyclic 5-Amino-6,8-Dihydro-1H-Furo[3,4-D]Pyrrolo[3,2-B]Pyridine-2-Carboxamide Compounds, Compositions Thereof, and Methods of Treatment Therewith BEONE MEDICINES I GMBH (CH) 2026-05-14 US disclosed
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 WO disclosed
US-20250298309-A1 SEMICONDUCTOR PHOTORESIST COMPOSITIONS AND METHODS OF FORMING PATTERNS USING THE COMPOSITION SAMSUNG SDI CO., LTD. (KR) 2025-09-25 US disclosed
US-9670244-B2 Oxysterol compounds and the hedgehog pathway THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-06 US disclosed
EP-1993558-B1 OXYSTEROL COMPOUNDS AND THE HEDGEHOG PATHWAY UNIV CALIFORNIA (US) 2014-07-30 EP disclosed
US-8022052-B2 Inhibition of PPAR gamma expression by specific osteogenic oxysterols THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-20 US disclosed
WO-2011006087-A1 INHIBITION OF PPAR GAMMA EXPRESSION IN PREADIPOCYTE CELLS BY OXYSTEROLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-13 WO disclosed
US-20100105645-A1 INHIBITION OF PPAR GAMMA EXPRESSION BY SPECIFIC OSTEOGENIC OXYSTEROLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-29 US disclosed
US-20100034781-A1 Oxysterol Compounds and the Hedgehog Pathway THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-02-11 US disclosed
US-6861566-B2 Process for producing 1-chloro-4-arylbutane SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-03-01 US disclosed
US-20040097763-A1 Process for producing 1-chloro-4-arylbutane SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-05-20 US disclosed
EP-1369405-A1 PROCESS FOR PRODUCING 1-CHLORO-4-ARYLBUTANE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-10 EP disclosed
EP-0309766-B1 N-acylamino acid derivatives and their use BANYU PHARMA CO LTD (JP) 1998-04-15 EP disclosed
US-5506356-A RENIN INHIBITORS; HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-04-09 US disclosed
US-5481036-A RENIN INHIBITORS, HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 US disclosed
US-5319082-A N-acylamino acid derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-06-07 US disclosed
US-5240924-A Dipeptide hypotensives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-31 US disclosed
US-5122523-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-06-16 US disclosed
EP-0309766-A2 N-acylamino acid derivatives and their use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 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-20100105645-A1 INHIBITION OF PPAR GAMMA EXPRESSION BY SPECIFIC OSTEOGENIC OXYSTEROLS PPARA, PPARG, EBP TAAR1 2834/4885IDO1 4026/4885ACHE 4835/4885
US-20100034781-A1 Oxysterol Compounds and the Hedgehog Pathway SHH, SMO, NR1H3 TAAR1 2058/4885IDO1 4108/4885ACHE 2327/4885
US-20260132149-A1 Bridged Cyclic 5-Amino-6,8-Dihydro-1H-Furo[3,4-D]Pyrrolo[3,2-B]Pyridine-2-Carboxamide Compounds, Compositions Thereof, and Methods of Treatment Therewith MECP2, PRMT5, DNMT1 TAAR1 3730/4885IDO1 3024/4885ACHE 4628/4885
US-20040097763-A1 Process for producing 1-chloro-4-arylbutane CYP1B1, CBR1, CYP1A1 TAAR1 77/4885IDO1 114/4885ACHE 2710/4885

“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.