SCHEMBL369442

SCHEMBL369442

COC(C)(C)CCOC(C)(C)CCO

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL25834625 0.87 ALDH1A1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL12304992 0.86 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL64765 0.85
SCHEMBL18974716 0.84
SCHEMBL22039632 0.84 ALDH1A1 (0.36) ALDH1A1TSHRTDP1
SCHEMBL11210505 0.84 ALDH1A1 (0.30) ALDH1A1TSHRTDP1
Ethylene Glycol SCHEMBL28232976 0.83 ALDH1A1 (0.43) ALDH1A1TSHRTDP1
Water SCHEMBL27934281 0.83 ALDH1A1 (0.43) ALDH1A1TSHRTDP1
SCHEMBL2591293 0.83
Methoxymethane SCHEMBL1476203 0.83 ALDH1A1 (0.43) ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183419-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2017-06-29 US disclosed
US-8945513-B2 Star polymer nanoshells and methods of preparation thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-02-03 US disclosed
US-8802667-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2014-08-12 US disclosed
US-20130302357-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2013-11-14 US disclosed
US-20120237447-A1 STAR POLYMER NANOSHELLS AND METHODS OF PREPARATION THEREOF SAN JOSE STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-09-20 US disclosed
EP-1962959-B1 NEUROPEPTIDE-2 RECEPTOR-AGONISTS HOFFMANN LA ROCHE (CH) 2012-03-14 EP disclosed
WO-2007065808-A2 NEUROPEPTIDE-2 RECEPTOR-AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 WO disclosed
US-4381416-A Process for producing isoprene KURARAY CO., LTD. (JP) 1983-04-26 US disclosed
EP-0030109-A1 Process for producing isoprene KURARAY CO., LTD. (JP) 1981-06-10 EP 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-20120237447-A1 STAR POLYMER NANOSHELLS AND METHODS OF PREPARATION THEREOF VCL, CD47, MSN ALDH1A1 4870/4885TSHR 3436/4885TDP1 3746/4885
US-20170183419-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 ALDH1A1 619/4885TSHR 707/4885TDP1 3601/4885
US-20130302357-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 ALDH1A1 619/4885TSHR 707/4885TDP1 3601/4885

“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.