SCHEMBL17451477

SCHEMBL17451477

CCc1ccc(/C=C2\CSC/C(=C\c3ccc(C)cc3)C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ PIM1 P11309 2/20 0.48
▸ PIM2 Q9P1W9 2/20 0.48
▸ IGF1R P08069 1/20 0.48
▸ ACHE P22303 4/20 0.45
▸ MYC P01106 2/20 0.43
▸ MAX P61244 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MIF P14174 1/20 0.41
▸ IKBKB O14920 1/20 0.41
▸ RAF1 P04049 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ AKT2 P31751 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ MAPKAPK2 P49137 1/20 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
SCHEMBL11504407 0.89 CYP1A2 (0.65) KMT2AMEN1CYP1A2PIM1PIM2
SCHEMBL11504406 0.89 CYP1A2 (0.65) KMT2AMEN1CYP1A2PIM1PIM2
SCHEMBL17451506 0.83 F2 (0.47) KMT2AMEN1CYP1A2PIM1PIM2
SCHEMBL17451495 0.81 KMT2A (0.56) KMT2AMEN1CYP1A2PIM1PIM2
SCHEMBL17451530 0.75 F2 (0.51) KMT2AMEN1CYP1A2NPC1RAB9A
SCHEMBL16111321 0.75 F2 (0.51) KMT2AMEN1CYP1A2NPC1RAB9A
SCHEMBL16111320 0.75 F2 (0.51) KMT2AMEN1CYP1A2NPC1RAB9A
SCHEMBL15561380 0.75 ACHE (0.48) KMT2AMEN1CYP1A2ACHECARM1
SCHEMBL16755587 0.75 ACHE (0.48) KMT2AMEN1CYP1A2ACHECARM1
SCHEMBL19840306 0.75 ACHE (0.48) KMT2AMEN1CYP1A2ACHECARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160016931-A1 COMPOUNDS FOR TREATING INFLAMMATORY AND HYPERPROLIFERATIVE DISEASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2016-01-21 — — 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 (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-20160016931-A1 COMPOUNDS FOR TREATING INFLAMMATORY AND HYPERPROLIFERATIVE DISEASES NFKBIA, PCNA, MYC KMT2A 3236/4885MEN1 885/4885CYP1A2 3991/4885

“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.

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