SCHEMBL416368

SCHEMBL416368

CC(=O)C(C)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.58
CYP3A4 P08684 3/20 0.56
TSHR P16473 1/20 0.56
ALPI P09923 1/20 0.55
PKM P14618 1/20 0.55
PTGS1 P23219 1/20 0.55
XIAP P98170 1/20 0.55
SLC7A5 Q01650 1/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MAPK1 P28482 1/20 0.54
CYP1A2 P05177 1/20 0.54
HSD17B10 Q99714 1/20 0.53
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SLC6A2 P23975 2/20 0.50
TAAR1 Q96RJ0 2/20 0.50
MAOA P21397 1/20 0.50
SLC6A4 P31645 1/20 0.50

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
SCHEMBL13971381 1.00 HPGD (0.58) HPGDCYP3A4TSHRALPIPKM
SCHEMBL417469 1.00 HPGD (0.58) HPGDCYP3A4TSHRALPIPKM
SCHEMBL9293068 0.89 ESR1 (0.48) HPGDCYP3A4TSHRPTGS1SLC7A5
SCHEMBL12258522 0.88 MME (0.54) TSHRPTGS1LMNA
SCHEMBL12258523 0.88 MME (0.54) TSHRPTGS1LMNA
SCHEMBL12258520 0.88 MME (0.54) TSHRPTGS1LMNA
SCHEMBL265135 0.84 CYP1A2 (0.61) HPGDCYP3A4TSHRALPIPKM
SCHEMBL265577 0.84 CYP1A2 (0.61) HPGDCYP3A4TSHRALPIPKM
SCHEMBL22066481 0.84 HPGD (0.59) HPGDCYP3A4TSHRALPIPKM
SCHEMBL65930 0.84 CYP1A2 (0.61) HPGDCYP3A4TSHRALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116715976-B Chiral carbon-containing pentamethine cyanine dye, and preparation method and application thereof 大连理工大学 2024-08-06 CN claimed
CN-116715976-A Chiral carbon-containing pentamethine cyanine dye, and preparation method and application thereof 大连理工大学 2023-09-08 CN claimed
CN-116660543-A Diagnostic and prognostic markers for nonalcoholic fatty liver disease and uses thereof 中国人民解放军陆军军医大学第一附属医院 2023-08-29 CN claimed
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO claimed
CN-101343220-A Preparation method for 3-methyl-4-phenyl-2-butanone XI AN RUILIAN MODERN ELECTRONI (CN) 2009-01-14 CN claimed
CN-1049884-C Synthesis process of methylbenzyl acetone trihalide PUDONG PHARMACEUTICAL FACTORY (CN) 2000-03-01 CN claimed
CN-1174187-A Synthesis process of methylbenzyl acetone trihalide PUDONG PHARMACEUTICAL FACTORY (CN) 1998-02-25 CN claimed
US-20250241905-A1 3-BETA-HSD1 INHIBITORS AND COMPOSITIONS AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION 2025-07-31 US disclosed
EP-4543437-A1 3-?HSD1 INHIBITORS AND COMPOSITIONS AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2025-04-30 EP disclosed
US-20240368001-A1 SALT RECOVERY SOLUTION AND PROCESSES OF USE THEREOF AQUAFORTUS TECHNOLOGIES LIMITED (NZ) 2024-11-07 US disclosed
CN-116715976-B Chiral carbon-containing pentamethine cyanine dye, and preparation method and application thereof 大连理工大学 2024-08-06 CN disclosed
US-11987506-B2 Salt recovery solution and processes of use thereof AQUAFORTUS TECHNOLOGIES LIMITED (NZ) 2024-05-21 US disclosed
WO-2023250480-A1 3-βHSD1 INHIBITORS AND COMPOSITIONS AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2023-12-28 WO disclosed
CN-1174187-A Synthesis process of methylbenzyl acetone trihalide PUDONG PHARMACEUTICAL FACTORY (CN) 1998-02-25 CN disclosed
EP-0206442-B1 PREPARATION OF INDENES THE STANDARD OIL COMPANY (US) 1989-04-05 EP disclosed
US-4686291-A REACTING A METHYL SEC-ALKYL KETONE WITH A HALIDE BAYER AKTIENGESELLSCHAFT (DE) 1987-08-11 US disclosed
US-4677238-A CYCLODEHYDRATION OF ALDEHYDES OR KETONES THE STANDARD OIL COMPANY (US) 1987-06-30 US disclosed
EP-0206442-A1 Preparation of indenes THE STANDARD OIL COMPANY (US) 1986-12-30 EP disclosed
US-4568782-A CATALYTIC CYCLODEHYDRATION OF 3-PHENYLPROPIONALDEHYDES OR 3/PHENYLPROPYLEKETONES THE STANDARD OIL COMPANY (US) 1986-02-04 US disclosed
US-4092350-A ANTIINFLAMMATORY AGENTS, RHEUMATIC DISEASES TOYAMA CHEMICAL COMPANY LIMITED (JA) 1978-05-30 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 (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-20250241905-A1 3-BETA-HSD1 INHIBITORS AND COMPOSITIONS AND USES THEREOF HSD3B1, HSD3B2, HSD17B11 HPGD 28/4885CYP3A4 391/4885TSHR 4391/4885

“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.