SCHEMBL689563

SCHEMBL689563

O=CCc1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.52
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAOB P27338 3/20 0.49
MAOA P21397 1/20 0.49
HCAR2 Q8TDS4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43

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
SCHEMBL12345478 0.83 MAOB (0.39) MAOBMAOACYP1A2CYP2D6
SCHEMBL2796485 0.82 IDO1 (0.47) TAAR1IDO1AGXTALDH1A1MAOB
SCHEMBL4310219 0.82 IDO1 (0.55) TAAR1IDO1AGXTMAOBMAOA
SCHEMBL419919 0.81 TAAR1 (0.57) TAAR1IDO1AGXTALDH1A1MAOB
SCHEMBL3185470 0.80 TAAR1 (0.50) TAAR1IDO1AGXTALDH1A1MAOB
SCHEMBL27744248 0.80 TAAR1 (0.55) TAAR1IDO1AGXTMAOBMAOA
SCHEMBL30581261 0.80 TAAR1 (0.50) TAAR1IDO1AGXTALDH1A1MAOB
SCHEMBL6263676 0.80 TAAR1 (0.50) TAAR1IDO1AGXTALDH1A1MAOB
SCHEMBL7008696 0.80 TAAR1 (0.50) TAAR1IDO1AGXTALDH1A1MAOB
Propionaldehyde SCHEMBL27650408 0.79 CYP1A2 (0.46) TAAR1IDO1AGXTALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107118140-B A kind of β-acyl group-allyl methyl sulfide derivative and preparation method thereof 山西大学 2019-06-25 CN claimed
CN-107118140-A A kind of β acyl groups pi-allyl methyl sulfide derivative and preparation method thereof 山西大学 2017-09-01 CN claimed
WO-2006070244-A2 A PROCESS FOR THE PREPARATION OF ZALEPLON KHAMAR BAKULESH MAFATLAL (IN) 2006-07-06 WO claimed
US-12545653-B2 Compound as PPAR agonist and application thereof USA Elixiria Biotech Inc. (US) 2026-02-10 US disclosed
US-12378224-B2 Heteroaryl compounds and their use as Mer inhibitors DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2025-08-05 US disclosed
EP-4558501-A1 CBL-B INHIBITORS AND METHODS OF USE THEREOF Arcus Biosciences, Inc. (US) 2025-05-28 EP disclosed
US-20240279220-A1 INDOLE COMPOUNDS AND METHODS OF USE SIONNA THERAPEUTICS INC. 2024-08-22 US disclosed
EP-4398902-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF AMYLOID PEPTIDE INTERACTIONS WITH GLYCOSAMINOGLYCANS, METHODS OF TREATMENT, AND USE THEREOF Gismo Therapeutics, Inc. (US) 2024-07-17 EP disclosed
EP-4396179-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION (US) 2024-07-10 EP disclosed
CN-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 CN disclosed
WO-2024020034-A1 CBL-B INHIBITORS AND METHODS OF USE THEREOF ARCUS BIOSCIENCES, INC. (US) 2024-01-25 WO disclosed
US-5599967-A SKIN DISORDERS, VISION DISORDERS, ANTIINFLAMMATORY AGENTS ALLERGAN 1997-02-04 US disclosed
US-5591858-A Acetylenes disubstituted with a 5 substituted tetrahydronaphthyl group and with an aryl or heteroaryl group having retinoid-like biological activity ALLERGAN 1997-01-07 US disclosed
WO-1996033716-A1 RARβ SELECTIVE RETINOID COMPOUNDS FOR INHIBITING GENE EXPRESSION PROMOTED BY AP1 PROTEIN AND THEIR USE IN THERAPY ALLERGAN (US) 1996-10-31 WO disclosed
US-5543534-A Acetylenes disubstituted with a 5 substituted tetrahydronaphthyl group and with an aryl or heteroaryl groups having retinoid-like biological activity ALLERGAN 1996-08-06 US disclosed
WO-1996020930-A1 ACETYLENES DISUBSTITUTED WITH A 5 OR 8 SUBSTITUTED TETRAHYDRONAPHTHYL OR DIHYDRONAPHTHYL GROUP AND WITH AN ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-07-11 WO disclosed
WO-1996017851-A1 ARTHROPODICIDAL AND FUNGICIDAL ORGANOSILANES AND ORGANOGERMANES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-06-13 WO disclosed
US-5514825-A SYNTHETIC RETINOIDS ALLERGAN, INC. (US) 1996-05-07 US disclosed
US-5489584-A ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS; TREATING SKIN DISORDER, CARDIOVASCULAR DISORDER ALLERGAN, INC. (US) 1996-02-06 US disclosed
WO-1994008976-A1 FUNGICIDAL AND MITICIDAL AMINOPYRIMIDINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-04-28 WO 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 (3 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-20240279220-A1 INDOLE COMPOUNDS AND METHODS OF USE CFTR, INMT, IDO1 TAAR1 1221/4885IDO1 3/4885AGXT 690/4885
US-12545653-B2 Compound as PPAR agonist and application thereof PPARA, PPARD, PPARG TAAR1 877/4885IDO1 3642/4885AGXT 3230/4885
US-12378224-B2 Heteroaryl compounds and their use as Mer inhibitors MERTK, RET, ERBB2 TAAR1 762/4885IDO1 3872/4885AGXT 1282/4885

“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.