SCHEMBL16769650

SCHEMBL16769650

Cc1cc(-c2ccc(C(=O)O)cc2)c(C)cc1-c1ccc(OC=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.50
HSD17B10 Q99714 1/20 0.45
RXRA P19793 5/20 0.44
RXRB P28702 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
RARG P13631 1/20 0.43
MAP4K4 O95819 1/20 0.42
RARA P10276 1/20 0.42
ADH5 P11766 1/20 0.41
PTPN11 Q06124 1/20 0.41
CYP2C8 P10632 1/20 0.40
KMT2A Q03164 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL25634115 0.90 RARB (0.43) RARBHSD17B10RXRARXRBCA1
SCHEMBL14768869 0.87 ALDH1A1 (0.50) HSD17B10RXRARXRBCA1CA2
SCHEMBL18504207 0.86 HSD17B10 (0.49) RARBHSD17B10RXRARXRBCA1
SCHEMBL16769640 0.85 RXRA (0.49) RARBHSD17B10RXRARXRBCA1
SCHEMBL12780511 0.84 HSD17B10 (0.56) RARBHSD17B10RXRARXRBCA1
SCHEMBL16749653 0.83 RXRA (0.59) RARBRXRARXRBRARGMAP4K4
SCHEMBL12535966 0.82 RXRA (0.54) RARBHSD17B10RXRARXRBCA1
SCHEMBL10260784 0.82 RXRA (0.54) RARBHSD17B10RXRARXRBCA1
SCHEMBL16769649 0.82 RXRA (0.54) RARBHSD17B10RXRARXRBCA1
SCHEMBL15132369 0.82 RXRA (0.56) RARBHSD17B10RXRARXRBCA1

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 RARB 2639/4885HSD17B10 3807/4885RXRA 2502/4885
US-20160346759-A1 Iron Metal Organic Framework Materials TFRC, FTH1, FECH RARB 4562/4885HSD17B10 4292/4885RXRA 4751/4885
US-20150152123-A1 Aluminum Metal Organic Framework Materials AS3MT, ORAI2, ORAI3 RARB 4394/4885HSD17B10 3999/4885RXRA 4007/4885

“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.