SCHEMBL867360

SCHEMBL867360

CC(C)COCC(C)CO

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL18085838 0.97 TSHR (0.40) TSHRTDP1
SCHEMBL9394354 0.91 TSHR (0.43) TSHRTDP1
SCHEMBL15358596 0.88 TSHR (0.41) TSHRTDP1
SCHEMBL19203240 0.81 HSD17B10 (0.48) TSHRTDP1ALDH1A1
SCHEMBL7357628 0.80
Propylene Glycol SCHEMBL535998 0.80 TDP1 (0.59) TSHRTDP1ALDH1A1
Alcohol SCHEMBL5571921 0.79 TSHR (0.41) TSHRTDP1ALDH1A1
Ethylene Glycol SCHEMBL351864 0.79 TSHR (0.41) TSHRTDP1ALDH1A1
SCHEMBL9354591 0.79 USP2 (0.47) TSHRTDP1ALDH1A1
Methyl Alcohol SCHEMBL28414164 0.78 ALDH1A1 (0.38) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108963305-A Fuel cell system and the method for improving fuel cell system fuel efficiency 通用电气公司 2018-12-07 CN claimed
US-9586942-B2 Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-07 US disclosed
US-9586945-B2 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-07 US disclosed
US-9365512-B2 Isoindoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-06-14 US disclosed
EP-2457923-B1 STEROL DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2016-01-27 EP disclosed
US-9238619-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-19 US disclosed
US-9067871-B2 Aminotetraline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-30 US disclosed
US-9051280-B2 Tetraline and indane derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-09 US disclosed
US-20150119585-A1 STEROL DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2015-04-30 US disclosed
US-20150119585-A1 STEROL DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2015-04-30 US disclosed
US-8563617-B2 Aminotetraline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2013-10-22 US disclosed
US-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2013-08-08 US disclosed
US-20120295881-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-11-22 US disclosed
US-20120172348-A1 STEROL DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-07-05 US disclosed
US-20120172348-A1 STEROL DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-07-05 US disclosed
EP-2457923-A1 STEROL DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2012-05-30 EP disclosed
US-20120077796-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-03-29 US disclosed
US-20110034479-A1 Deuterium-enriched alkyl sulfonamides DHANOA DALJIT SINGH 2011-02-10 US disclosed
WO-2011010682-A1 STEROL DERIVATIVE 協和発酵キリン株式会社 (JP) 2011-01-27 WO disclosed
US-5546108-A Ink-jet type recorder having an ink carrier and letting ink by combined heat and eletrostatic force MINOLTA CAMERA KABUSHIKI KAISHA (JP) 1996-08-13 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 (6 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-20130203749-A1 Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy GOLT1B, SLC10A1, SUGT1 TSHR 3957/4885TDP1 1689/4885ALDH1A1 1730/4885
US-20120172348-A1 STEROL DERIVATIVE NR1H3, NR1H2, SREBF1 TSHR 1241/4885TDP1 3878/4885ALDH1A1 1621/4885
US-20120077796-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY KCNT1, CEPT1, PIGT TSHR 3986/4885TDP1 2187/4885ALDH1A1 934/4885
US-20150119585-A1 STEROL DERIVATIVE NR1H3, NR1H2, SREBF1 TSHR 1241/4885TDP1 3878/4885ALDH1A1 1621/4885
US-20120295881-A1 TETRALINE AND INDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC10A1, SUGT1, SLC10A2 TSHR 2124/4885TDP1 844/4885ALDH1A1 1378/4885
US-20110034479-A1 Deuterium-enriched alkyl sulfonamides HTR2C, HTR2B, HTR2A TSHR 2246/4885TDP1 721/4885ALDH1A1 1659/4885

“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.