SCHEMBL4346868

SCHEMBL4346868

[CH2]CC1CC1CCC.[CH2]CCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.32
THRB P10828 1/20 0.32
EPHX1 P07099 1/20 0.31
SLC22A1 O15245 1/20 0.31
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL2966938 0.92 ALOX5 (0.50) ALOX5ALDH1A1TSHRTHRBEPHX1
SCHEMBL2961154 0.92 ALOX5 (0.50) ALOX5ALDH1A1TSHRTHRBEPHX1
SCHEMBL11468983 0.90 ALOX5 (0.43) ALOX5ALDH1A1TSHRTHRBEPHX1
SCHEMBL1476747 0.85 ALOX5 (0.55) ALOX5ALDH1A1TSHRTHRBEPHX1
SCHEMBL1476715 0.85 ALOX5 (0.55) ALOX5ALDH1A1TSHRTHRBEPHX1
SCHEMBL19692314 0.85 ALOX5 (0.55) ALOX5ALDH1A1TSHRTHRBEPHX1
SCHEMBL1611049 0.85 ALOX5 (0.55) ALOX5ALDH1A1TSHRTHRBEPHX1
SCHEMBL19691908 0.85 ALOX5 (0.55) ALOX5ALDH1A1TSHRTHRBEPHX1
SCHEMBL4812718 0.85
SCHEMBL7107196 0.83 ALOX5 (0.52) ALOX5ALDH1A1TSHRTHRBEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10882831-B2 Compositions useful in therapy of autophagy-related pathologies, and methods of making and using the same THE UNIVERSITY OF TOLEDO (US) 2021-01-05 US claimed
CN-106543083-B A kind of absorption film-forming type imidazoline inhibitor and preparation method thereof 中海油天津化工研究设计院有限公司 2019-06-25 CN disclosed
CN-103833979-A Bitriselenophen-benzodi(benzoselendiazole) copolymer, preparation method and application thereof OCEANS KING LIGHTING SCIENCE 2014-06-04 CN disclosed
CN-103833973-A Copolymer containing dithieno (3,2-b:2',3'-d) thiophene-silole (2,3-b:3',2'-d) (diazosulfide) as well as preparation method and application of copolymer OCEANS KING LIGHTING SCIENCE 2014-06-04 CN disclosed
CN-102417585-B Organic semiconductor material containing dithienothiophene and thienopyrryldiketone units, and preparation method and application thereof Haiyangwang Lighting Technology Co., Ltd. (CN) 2013-10-02 CN disclosed
CN-102417585-A Organic semiconductor material containing dithienothiophene and thienopyrryldiketone units, and preparation method and application thereof OCEANS KING LIGHTING SCIENCE 2012-04-18 CN disclosed
US-20090275779-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BENZYLAMINE DERIVATIVE KANEKA CORPORATION (JP) 2009-11-05 US disclosed
EP-1942103-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BENZYLAMINE DERIVATIVE Kaneka Corporation (JP) 2008-07-09 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 (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-20090275779-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BENZYLAMINE DERIVATIVE SMS, SRM, ABHD5 ALOX5 378/4885ALDH1A1 701/4885TSHR 3053/4885
US-10882831-B2 Compositions useful in therapy of autophagy-related pathologies, and methods of making and using the same TFEB, BECN1, SQSTM1 ALOX5 1662/4885ALDH1A1 4757/4885TSHR 3997/4885

“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.