SCHEMBL2007250

SCHEMBL2007250

CCC=C(CC)CCCC

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.38
CES2 O00748 2/20 0.38
ALDH1A1 P00352 3/20 0.35
TP53 P04637 1/20 0.35
CA1 P00915 1/20 0.33
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL2007248 1.00 CES1 (0.38) CES1CES2ALDH1A1TP53CA1
SCHEMBL15971609 0.92 CES2 (0.40) CES1CES2ALDH1A1TSHR
SCHEMBL11973637 0.90 CES2 (0.42) CES1CES2ALDH1A1TSHR
SCHEMBL11973634 0.90 CES2 (0.42) CES1CES2ALDH1A1TSHR
SCHEMBL11973024 0.90 CES2 (0.42) CES1CES2ALDH1A1TSHR
SCHEMBL11973023 0.90 CES2 (0.42) CES1CES2ALDH1A1TSHR
SCHEMBL31520438 0.89 CES1 (0.41) CES1CES2ALDH1A1TP53CA1
Ammonia Solution, Strong SCHEMBL8938788 0.88 CES2 (0.41) CES1CES2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL28458576 0.84 CES1 (0.38) CES1CES2ALDH1A1TP53CA1
SCHEMBL2004315 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10261071-B2 Volatile organic compounds as diagnostic breath markers for pulmonary oxygen toxicity THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2019-04-16 US claimed
US-20180180590-A1 VOLATILE ORGANIC COMPOUNDS AS DIAGNOSTIC BREATH MARKERS FOR PULMONARY OXYGEN TOXICITY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2018-06-28 US claimed
CN-114478987-A Polyurethane, method for producing polyurethane, conductive paste composition, conductive wiring, and method for producing conductive wiring 信越化学工业株式会社 2022-05-13 CN disclosed
CN-114431866-A Bioelectrode composition, bioelectrode, method for producing bioelectrode, and reaction complex 信越化学工业株式会社 2022-05-06 CN disclosed
US-10261071-B2 Volatile organic compounds as diagnostic breath markers for pulmonary oxygen toxicity THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2019-04-16 US disclosed
US-10261071-B2 Volatile organic compounds as diagnostic breath markers for pulmonary oxygen toxicity THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2019-04-16 US disclosed
US-20180180590-A1 VOLATILE ORGANIC COMPOUNDS AS DIAGNOSTIC BREATH MARKERS FOR PULMONARY OXYGEN TOXICITY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2018-06-28 US disclosed
US-20180180590-A1 VOLATILE ORGANIC COMPOUNDS AS DIAGNOSTIC BREATH MARKERS FOR PULMONARY OXYGEN TOXICITY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2018-06-28 US disclosed
US-20120208959-A1 METHOD FOR PRODUCING AN AQUEOUS POLYMER DISPERSION BASF SE (DE) 2012-08-16 US disclosed
US-20120149840-A1 PROCESS FOR PRODUCING AN AQUEOUS POLYMER DISPERSION Univ. of Southern Mississippi Res. Foundation (US) 2012-06-14 US disclosed
US-7960477-B2 Polyamides with acrylate rubbers BASF SE (DE) 2011-06-14 US disclosed
US-20100152380-A1 PROCESS FOR PREPARING AN AQUEOUS POLYMER DISPERSION BASF SE (DE) 2010-06-17 US disclosed
US-20100093905-A1 AQUEOUS BINDER FOR GRANULAR AND/OR FIBROUS SUBSTRATES BASF SE (DE) 2010-04-15 US disclosed
US-20100069597-A1 FINE-PARTICLED POLYMER DISPERSIONS CONTAINING STARCH BASF SE (DE) 2010-03-18 US disclosed
US-20100048821-A1 POLYAMIDES WITH ACRYLATE RUBBERS BASF SE (DE) 2010-02-25 US disclosed
US-20100022708-A1 DISPERSING ASSISTANT FOR EMULSION AND SUSPENSION POLYMERIZATION BASF SE (DE) 2010-01-28 US disclosed
US-20090275681-A1 PROCESS FOR PREPARING AN AQUEOUS POLYMER DISPERSION BASF SE (DE) 2009-11-05 US disclosed
CN-101558119-A Polyamide containing acrylate rubber BASF SE (DE) 2009-10-14 CN disclosed
US-20080221267-A1 Process for Preparing an Aqueous Addition-Polymer Dispersion BASF AKTIENGESELLSCHAFT (DE) 2008-09-11 US disclosed
US-4713187-A Lubricating oil compositions containing modified succinimides (V) CHEVRON RESEARCH COMPANY (US) 1987-12-15 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-20120149840-A1 PROCESS FOR PRODUCING AN AQUEOUS POLYMER DISPERSION PUF60, PARG, ACMSD CES1 4099/4885CES2 1636/4885ALDH1A1 3496/4885

“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.