SCHEMBL27219424

SCHEMBL27219424

NC(=O)c1ccc(C2CCCCC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.44
▸ PARP10 Q53GL7 5/20 0.43
▸ PARP15 Q460N3 4/20 0.43
▸ MCL1 Q07820 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PARP2 Q9UGN5 2/20 0.40
▸ F10 P00742 2/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TLR4 O00206 1/20 0.38

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
SCHEMBL27219399 0.85 MCL1 (0.47) MCL1MAPK1NPC1RAB9AGAA
SCHEMBL15883736 0.85 MCL1 (0.47) MCL1MAPK1NPC1RAB9AGAA
SCHEMBL27219385 0.83 MAPK1 (0.44) MCL1MAPK1NPC1RAB9AGAA
SCHEMBL15883574 0.83 MAPK1 (0.44) MCL1MAPK1NPC1RAB9AGAA
SCHEMBL27219489 0.81 MCL1 (0.55) MCL1MAPK1NPC1RAB9AALDH1A1
SCHEMBL15874857 0.80 TP53 (0.50) MAPK1CYP2C9NPC1RAB9AGAA
SCHEMBL15874855 0.80 TP53 (0.50) MAPK1CYP2C9NPC1RAB9AGAA
SCHEMBL6434415 0.79 ESR2 (0.48) MCL1NPC1RAB9ATLR4
SCHEMBL8381617 0.79 DDB1 (0.50) MCL1TLR4
Hydrogen Peroxide SCHEMBL14842506 0.77 MCL1 (0.53) MCL1GAAALDH1A1TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158340-A1 PHOTOCATALYTIC ARYLATION OF CARBONYL COMPOUNDS AND METHODS FOR USING THE SAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2024-05-16 — — US disclosed
WO-2022235875-A1 PHOTOCATALYTIC ARYLATION OF CARBONYL COMPOUNDS AND METHODS FOR USING THE SαAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2022-11-10 — — WO 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-20240158340-A1 PHOTOCATALYTIC ARYLATION OF CARBONYL COMPOUNDS AND METHODS FOR USING THE SAME AHR, CBR3, AADAC F2 3382/4885PARP10 2395/4885PARP15 1068/4885

“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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