SCHEMBL27219399

SCHEMBL27219399

O=C(O)c1ccc(C2CCCCC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.47
▸ KMT2A Q03164 1/20 0.44
▸ SRD5A2 P31213 1/20 0.44
▸ MAPK1 P28482 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HAO1 Q9UJM8 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMO O15229 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SLC18A3 Q16572 1/20 0.39

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
SCHEMBL15883736 1.00 MCL1 (0.47) MCL1KMT2ASRD5A2MAPK1TP53
SCHEMBL27219489 0.85 MCL1 (0.55) MCL1KMT2ASRD5A2MAPK1TP53
SCHEMBL27219424 0.85 F2 (0.44) MCL1MAPK1ALDH1A1RAB9ANPC1
SCHEMBL27219385 0.85 MAPK1 (0.44) MCL1KMT2AMAPK1TSHRKDM4E
SCHEMBL15883574 0.85 MAPK1 (0.44) MCL1KMT2AMAPK1TSHRKDM4E
Hydrogen Peroxide SCHEMBL14842506 0.82 MCL1 (0.53) MCL1TP53KDM4EALDH1A1CA1
SCHEMBL15874855 0.81 TP53 (0.50) KMT2AMAPK1TP53TSHRKDM4E
SCHEMBL15874857 0.81 TP53 (0.50) KMT2AMAPK1TP53TSHRKDM4E
SCHEMBL6434415 0.80 ESR2 (0.48) MCL1CA1RAB9ANPC1TLR4
SCHEMBL190786 0.80 SLC18A3 (0.51) MCL1TP53KDM4ECA1MAPT

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 MCL1 2390/4885KMT2A 1729/4885SRD5A2 2039/4885

“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.

Send feedback