SCHEMBL1028627

SCHEMBL1028627

CCC(CC)(CC)CCO

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 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
Ammonia Solution, Strong SCHEMBL1962263 0.97 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL659304 0.93 ALDH1A1 (0.33) ALDH1A1TSHRSMN1; SMN2
SCHEMBL913964 0.93 ALDH1A1 (0.33) ALDH1A1TSHRSMN1; SMN2
SCHEMBL7245917 0.87 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL561351 0.87 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL229805 0.87 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL1100793 0.84 ALDH1A1 (0.33) ALDH1A1TSHRSMN1; SMN2
SCHEMBL3098093 0.84 ALDH1A1 (0.33) ALDH1A1TSHRSMN1; SMN2
SCHEMBL5182814 0.82 SMN1; SMN2 (0.43) ALDH1A1TSHRSMN1; SMN2
SCHEMBL3373378 0.80 SMN1; SMN2 (0.47) ALDH1A1TSHRSMN1; SMN2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117050608-A Steel slag-based shield powder coating and preparation method thereof 安徽工业大学 2023-11-14 CN claimed
EP-2534132-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
US-20160201093-A1 Process for the Bioconversion of C3-C13 Alkanes to C3-C13 Primary Alcohols BASF SE (DE) 2016-07-14 US disclosed
EP-3027760-A1 PROCESS FOR THE BIOCONVERSION OF C3-C13 ALKANES TO C3-C 13 PRIMARY ALCOHOLS BASF SE (DE) 2016-06-08 EP disclosed
WO-2015014644-A1 PROCESS FOR THE BIOCONVERSION OF C3-C13 ALKANES TO C3-C 13 PRIMARY ALCOHOLS BASF SE (DE) 2015-02-05 WO disclosed
US-8557754-B2 Composition of biodegradable gear oil COUNSEL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-10-15 US disclosed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2534132-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2012-12-19 EP disclosed
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
US-20110207638-A1 COMPOSITION OF BIODEGRADABLE GEAR OIL COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-08-25 US disclosed
WO-2011098398-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-18 WO disclosed
EP-2340021-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2011-07-06 EP disclosed
EP-2274407-A1 A COMPOSITION OF BIODEGRADABLE GEAR OIL Council of Scientific & Industrial Research (IN) 2011-01-19 EP disclosed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US disclosed
WO-2010031713-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2010-03-25 US disclosed
WO-2009116082-A1 A COMPOSITION OF BIODEGRADABLE GEAR OIL COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-09-24 WO disclosed
US-20090155546-A1 FILM-FORMING COMPOSITION, METHOD FOR PATTERN FORMATION, AND THREE-DIMENSIONAL MOLD TOKYO OHKA KOGYO CO., LTD. (JP) 2009-06-18 US disclosed
WO-1993007240-A1 PROCESS FOR PRODUCING FLUIDS OF ENHANCED THERMAL STABILITY EXXON CHEMICAL PATENTS INC. (US) 1993-04-15 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 (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-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 ALDH1A1 2027/4885TSHR 846/4885SMN1; SMN2 2109/4885
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 ALDH1A1 2027/4885TSHR 846/4885SMN1; SMN2 2109/4885

“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.