SCHEMBL18624971

SCHEMBL18624971

NCc1cc(-c2ccc(C(=O)O)cc2)c(CN)cc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.49
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
RXRA P19793 3/20 0.44
RXRB P28702 3/20 0.44
MAP4K4 O95819 4/20 0.44
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
SRD5A2 P31213 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42

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
SCHEMBL25126172 0.82 RXRA (0.59) FOLH1TP53TSHRRXRARXRB
SCHEMBL7919905 0.81 DPP4 (0.66) FOLH1LOXL2TP53TSHRRXRA
SCHEMBL23877798 0.81 FOLH1 (0.48) FOLH1LOXL2RXRARXRBSRD5A2
SCHEMBL23658408 0.81 HSD17B10 (0.49) FOLH1LOXL2SRD5A2CA12CA1
SCHEMBL18624970 0.80 TTR (0.46) LOXL2TP53TSHRSRD5A2CA12
SCHEMBL28374522 0.78 RARB (0.53) FOLH1TP53RXRARXRBRARA
SCHEMBL29199190 0.77 TSHR (0.63) TP53TSHRRXRARXRBBCL2L1
SCHEMBL23501870 0.77 TSHR (0.63) FOLH1TP53TSHRRXRARXRB
SCHEMBL2942251 0.77 TSHR (0.63) FOLH1TP53TSHRRXRARXRB
SCHEMBL22861483 0.77 EGFR (0.50) FOLH1RXRARXRBMAP4K4SRD5A2

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-20170072070-A1 METAL-ORGANIC FRAMEWORK STIMULUS RESPONSIVE POLYMER COMPOSITE CAPABLE OF CONTROLLING RELEASE OF GUEST NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2017-03-16 US disclosed
US-20170072070-A1 METAL-ORGANIC FRAMEWORK STIMULUS RESPONSIVE POLYMER COMPOSITE CAPABLE OF CONTROLLING RELEASE OF GUEST NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2017-03-16 US disclosed
EP-3141263-A1 METAL-ORGANIC FRAMEWORK/STIMULUS-RESPONSIVE POLYMER COMPOSITE CAPABLE OF CONTROLLING RELEASE OF GUEST National University Corporation Hokkaido University (JP) 2017-03-15 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 (1 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-20170072070-A1 METAL-ORGANIC FRAMEWORK STIMULUS RESPONSIVE POLYMER COMPOSITE CAPABLE OF CONTROLLING RELEASE OF GUEST ORAI1, SARAF, TRPM8 FOLH1 2971/4885LOXL2 2713/4885TP53 3141/4885

“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.