SCHEMBL14436613

SCHEMBL14436613

CC(C)(C)C(=O)C1CCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.42
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 1/20 0.37
RECQL P46063 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HBB P68871 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TLR4 O00206 4/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCR2 P41597 1/20 0.31

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
SCHEMBL18796201 0.94 MCL1 (0.49) MCL1MAPK1CYP1A2RECQLCA1
SCHEMBL4751506 0.79 MCL1 (0.46) MCL1MAPK1CYP1A2RECQLCA1
SCHEMBL28595966 0.76 MCL1 (0.40) MCL1MAPK1CYP1A2RECQL
SCHEMBL10192793 0.76 ALDH1A1 (0.45) CA1CA2CA4KMT2AALDH1A1
2-Acetylcyclopentanone SCHEMBL22289653 0.76
2-Acetylcyclopentanone SCHEMBL12565037 0.76
2-Acetylcyclopentanone SCHEMBL535830 0.76
SCHEMBL3107746 0.75 MCL1 (0.50) MCL1MAPK1CYP1A2RECQLCA1
SCHEMBL172131 0.75 CYP1A2 (0.44) MCL1MAPK1CYP1A2RECQLALDH1A1
SCHEMBL3780480 0.75 MAPK1 (0.41) MCL1MAPK1CYP1A2RECQLCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10688063-B2 Treating and/or preventing insulin-resistance related weight gain UNIVERSITY OF SOUTH FLORIDA (US) 2020-06-23 US disclosed
US-20180028488-A1 TREATING AND/OR PREVENTING INSULIN-RESISTANCE RELATED WEIGHT GAIN UNIVERSITY OF SOUTH FLORIDA (US) 2018-02-01 US disclosed
US-20070191406-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-08-16 US disclosed
US-20070191406-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-08-16 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 (3 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-20180028488-A1 TREATING AND/OR PREVENTING INSULIN-RESISTANCE RELATED WEIGHT GAIN IGFBP1, IGFBP2, ACACA MCL1 4562/4885MAPK1 1718/4885CYP1A2 2812/4885
US-10688063-B2 Treating and/or preventing insulin-resistance related weight gain IGFBP1, IGFBP2, ACACA MCL1 4562/4885MAPK1 1718/4885CYP1A2 2812/4885
US-20070191406-A1 Heterocyclic antiviral compounds CCR5, CX3CR1, CXCR1 MCL1 1400/4885MAPK1 1145/4885CYP1A2 2088/4885

“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.