SCHEMBL16769658

SCHEMBL16769658

O=COc1ccc(-c2ccc(C34CC5(c6ccc(-c7ccc(OC=O)cc7)cc6)CC(c6ccc(-c7ccc(C(=O)O)cc7)cc6)(C3)CC(c3ccc(-c6ccc(C(=O)O)cc6)cc3)(C4)C5)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
RARB P10826 7/20 0.40
RARA P10276 2/20 0.40
RARG P13631 2/20 0.40
RXRA P19793 1/20 0.40
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
ERN1 O75460 1/20 0.38
SRD5A2 P31213 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CASP1 P29466 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL16769681 1.00 HSD17B10 (0.44) HSD17B10RARBRARARARGRXRA
SCHEMBL12780511 0.86 HSD17B10 (0.56) HSD17B10RARBRXRABCL2L1BAD
SCHEMBL16749648 0.84 BCL2L1 (0.52) HSD17B10RXRABCL2L1BADCA1
SCHEMBL12535966 0.81 RXRA (0.54) HSD17B10RARBRXRABCL2L1BAD
SCHEMBL18504198 0.81 HSD17B10 (0.51) HSD17B10RARBRXRABCL2L1BAD
SCHEMBL18504197 0.81 HSD17B10 (0.51) HSD17B10RARBRXRABCL2L1BAD
SCHEMBL10260784 0.81 RXRA (0.54) HSD17B10RARBRXRABCL2L1BAD
SCHEMBL16769649 0.81 RXRA (0.54) HSD17B10RARBRXRABCL2L1BAD
SCHEMBL6054668 0.80 CA1 (0.56) HSD17B10CA1CA2SRD5A2KMT2A
SCHEMBL5084654 0.79 TSHR (0.57) RXRABCL2L1BADCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951095-B2 Chromium metal organic frameworks and synthesis of metal organic frameworks THE TEXAS A&M UNIVERSITY SYSTEM (US) 2018-04-24 US disclosed
US-9724668-B2 Iron metal organic framework materials THE TEXAS A&M UNIVERSITY SYSTEM (US) 2017-08-08 US disclosed
US-20170050995-A1 Chromium Metal Organic Frameworks and Synthesis of Metal Organic Frameworks THE TEXAS A&M UNIVERSITY SYSTEM 2017-02-23 US disclosed
US-20160346759-A1 Iron Metal Organic Framework Materials U.S. DEPARTMENT OF ENERGY 2016-12-01 US disclosed
US-9102691-B2 Aluminum metal organic framework materials TEXAS A&M UNIVERSITY SYSTEM (US) 2015-08-11 US disclosed
US-20150152123-A1 Aluminum Metal Organic Framework Materials U.S. DEPARTMENT OF ENERGY 2015-06-04 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 (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-20170050995-A1 Chromium Metal Organic Frameworks and Synthesis of Metal Organic Frameworks OXGR1, TFRC, PICALM HSD17B10 3807/4885RARB 2639/4885RARA 1853/4885
US-20160346759-A1 Iron Metal Organic Framework Materials TFRC, FTH1, FECH HSD17B10 4292/4885RARB 4562/4885RARA 4262/4885
US-20150152123-A1 Aluminum Metal Organic Framework Materials AS3MT, ORAI2, ORAI3 HSD17B10 3999/4885RARB 4394/4885RARA 2812/4885

“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.