SCHEMBL277434

SCHEMBL277434

CCC(CC)CNCC(CC)CC

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
CYP3A4 P08684 1/20 0.60
TSHR P16473 1/20 0.60
KDM4E B2RXH2 1/20 0.35
GLB1 P16278 1/20 0.32
TP53 P04637 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31

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
SCHEMBL13676843 0.87 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRKDM4E
SCHEMBL5273070 0.86
SCHEMBL18760750 0.85 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRKDM4E
SCHEMBL13995758 0.83 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRKDM4E
SCHEMBL21093342 0.83 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRKDM4EGLB1
SCHEMBL23143127 0.83 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRKDM4E
SCHEMBL7961728 0.81
SCHEMBL3633660 0.81 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRKDM4E
SCHEMBL6725226 0.81
SCHEMBL7961726 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5208341-A Pressure sensitive copying; thermoreactive or electrochromic recording materials BAYER AKTIENGESELLSCHAFT (DE) 1993-05-04 US claimed
EP-0480276-A2 Carbonylaminostyrene derivatives as recording material BAYER AG (DE) 1992-04-15 EP claimed
CN-118908998-A Antiviral prodrugs and uses thereof 上海柯君医药科技有限公司 2024-11-08 CN disclosed
CN-118184702-A Antiviral prodrugs and uses thereof 上海柯君医药科技有限公司 2024-06-14 CN disclosed
US-20240018093-A1 NEW AMMONIUM COMPOUNDS USEFUL AS SURFACTANTS RHODIA OPERATIONS (FR) 2024-01-18 US disclosed
US-20230331662-A1 AN N,N-DIHYDROCARBONYLAMIDE CARBOXYLIC ACID, PREPARATION METHOD THEREFOR AND USE THEREOF Fujian Golden Dragon Rare-Earth Co., Ltd. (CN) 2023-10-19 US disclosed
US-20230331662-A1 AN N,N-DIHYDROCARBONYLAMIDE CARBOXYLIC ACID, PREPARATION METHOD THEREFOR AND USE THEREOF Fujian Golden Dragon Rare-Earth Co., Ltd. (CN) 2023-10-19 US disclosed
EP-4155291-A1 N,N-DIHYDROCARBYL AMIDE CARBOXYLIC ACID, PREPARATION METHOD THEREFOR AND USE THEREOF Fujian Changting Golden Dragon Rare-Earth Co., Ltd. (CN) 2023-03-29 EP disclosed
WO-2022266919-A1 N,N-DIHYDROCARBYL AMIDE CARBOXYLIC ACID, PREPARATION METHOD THEREFOR AND USE THEREOF 福建省长汀金龙稀土有限公司 2022-12-29 WO disclosed
US-20220135874-A1 INFRARED-EMITTING COMPOUND, AND LUMINESCENT THIN FILM, LUMINESCENT PARTICLE, WAVELENGTH CONVERSION FILM AND INFRARED-EMITTING SURFACE LIGHT SOURCE CONTAINING SAME Konica Minolta, Inc. (JP) 2022-05-05 US disclosed
EP-2808021-B1 BRAIN FUNCTION IMPROVING AGENT UNIV TOHOKU (JP) 2017-08-23 EP disclosed
US-5510539-A LIQUID KETALS; LONG DARK STORAGE STABILITY CIBA-GEIGY CORPORATION (US) 1996-04-23 US disclosed
US-5288917-A Benzil ketals; end-capped polyoxyyethylene glycol; mixed with titanocene-type initiators CIBA-GEIGY CORPORATION (US) 1994-02-22 US disclosed
EP-0562832-A1 Indole and indazole derivatives, for the treatment and prophylaxis of cerebral disorders, their preparation and their use SANKYO COMPANY LIMITED (JP) 1993-09-29 EP disclosed
US-5208341-A Pressure sensitive copying; thermoreactive or electrochromic recording materials BAYER AKTIENGESELLSCHAFT (DE) 1993-05-04 US disclosed
EP-0480276-A2 Carbonylaminostyrene derivatives as recording material BAYER AG (DE) 1992-04-15 EP disclosed
EP-0242330-B1 LIQUID BLEND OF PHOTOINITIATORS CIBA-GEIGY AG (CH) 1990-05-16 EP disclosed
EP-0242330-A1 Liquid blend of photoinitiators CIBA-GEIGY AG (CH) 1987-10-21 EP disclosed
US-4468526-A Process for the preparation of thiuram disulfides AKZONA INCORPORATED (US) 1984-08-28 US disclosed
US-4459424-A SECONDARY AMINE, CARBON DISULFIDE, METAL CONTAINING CATALYST AKZONA INCORPORATED (US) 1984-07-10 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 (2 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-20230331662-A1 AN N,N-DIHYDROCARBONYLAMIDE CARBOXYLIC ACID, PREPARATION METHOD THEREFOR AND USE THEREOF NOTUM, HADH, SLC39A11 ALDH1A1 1024/4885CYP3A4 3203/4885TSHR 3336/4885
US-20240018093-A1 NEW AMMONIUM COMPOUNDS USEFUL AS SURFACTANTS ACMSD, ARG1, ASS1 ALDH1A1 3734/4885CYP3A4 2122/4885TSHR 4479/4885

“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.