SCHEMBL16769667

SCHEMBL16769667

CCCCCCOc1c(-c2ccc(C(=O)OC)cc2)cc(-c2ccc(C)cc2)cc1-c1ccc(C(=O)OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
RARB P10826 4/20 0.46
PTPN11 Q06124 2/20 0.45
MGLL Q99685 2/20 0.43
EGFR P00533 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CASP1 P29466 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMPD1 P17405 3/20 0.41

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
SCHEMBL16749654 0.95 RARB (0.50) RARBPTPN11MGLLEGFRNPC1
SCHEMBL19423232 0.86 RARB (0.41) RARBPTPN11MAPTALDH1A1
SCHEMBL19423207 0.86 RARB (0.41) RARBPTPN11MAPTALDH1A1
SCHEMBL16749640 0.82 RARB (0.68) RARBPTPN11MAPTALDH1A1
SCHEMBL19423231 0.80 CYP2D6 (0.42) RARB
SCHEMBL16769665 0.80 TDP1 (0.47) TDP1EGFRNPC1RAB9AMAPT
SCHEMBL23353481 0.80 DRD2 (0.38) RARBPTPN11
SCHEMBL9164200 0.78 RARB (0.73) RARBMGLLNPC1RAB9AMAPT
SCHEMBL9820479 0.78 RARB (0.73) RARBMGLLNPC1RAB9AMAPT
SCHEMBL5352926 0.78 RARB (0.73) RARBMGLLNPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9724668-B2 Iron metal organic framework materials THE TEXAS A&M UNIVERSITY SYSTEM (US) 2017-08-08 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 (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-20160346759-A1 Iron Metal Organic Framework Materials TFRC, FTH1, FECH TDP1 4073/4885RARB 4562/4885PTPN11 3946/4885
US-20150152123-A1 Aluminum Metal Organic Framework Materials AS3MT, ORAI2, ORAI3 TDP1 4088/4885RARB 4394/4885PTPN11 3954/4885

“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.