SCHEMBL16772175

SCHEMBL16772175

O=C(O)c1ccc(-c2ccc([Si](c3ccc(-c4ccc(C(=O)O)cc4)cc3)(c3ccc(-c4ccc(C(=O)O)cc4)cc3)c3ccc(-c4ccc(C(=O)O)cc4)cc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.58
BAD Q92934 1/20 0.58
HPGD P15428 1/20 0.58
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
RXRA P19793 6/20 0.52
RXRB P28702 5/20 0.52
RXRG P48443 2/20 0.52
MKNK1 Q9BUB5 1/20 0.52
MKNK2 Q9HBH9 1/20 0.52
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
SRD5A2 P31213 2/20 0.50
HSD17B10 Q99714 1/20 0.48
EGFR P00533 1/20 0.48
CA3 P07451 1/20 0.48
TYR P14679 1/20 0.48

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
SCHEMBL16749651 0.93 TSHR (0.67) HPGDTP53TSHRCA12CA1
SCHEMBL10476977 0.86 TSHR (0.59) HPGDTP53TSHRCA12CA1
SCHEMBL2197326 0.86 TSHR (0.59) HPGDTP53TSHRCA12CA1
SCHEMBL2637326 0.84 TSHR (0.80) BCL2L1BADTP53TSHRRXRA
SCHEMBL14018385 0.84 TSHR (0.80) BCL2L1BADTP53TSHRRXRA
Terephthalic Acid SCHEMBL9577834 0.84 TSHR (0.80) BCL2L1BADTP53TSHRRXRA
SCHEMBL69873 0.84 TSHR (0.80) BCL2L1BADTP53TSHRRXRA
Fluoride SCHEMBL20513068 0.82 TSHR (0.75) BCL2L1BADTP53TSHRRXRA
SCHEMBL21808797 0.82 TSHR (0.75) BCL2L1BADTP53TSHRRXRA
Water SCHEMBL22788424 0.82 TSHR (0.75) BCL2L1BADTP53TSHRRXRA

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 3 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-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 BCL2L1 2235/4885BAD 4379/4885HPGD 3743/4885
US-20150152123-A1 Aluminum Metal Organic Framework Materials AS3MT, ORAI2, ORAI3 BCL2L1 1892/4885BAD 3491/4885HPGD 4338/4885

“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.