SCHEMBL19836626

SCHEMBL19836626

CC(C)(C)C(=O)C1Cc2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
HBB P68871 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ACHE P22303 8/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
METAP1 P53582 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.40
CYP19A1 P11511 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
SCHEMBL28699476 0.83 KDM4E (0.51) ALDH1A1HBBHSD17B10ACHEKDM4E
SCHEMBL856747 0.81 ACHE (0.56) ALDH1A1ACHEKDM4EMEN1MAPT
SCHEMBL6117763 0.81 MAPT (0.49) ALDH1A1HBBHSD17B10ACHEKDM4E
SCHEMBL29769613 0.81 MAPT (0.49) ALDH1A1HBBHSD17B10ACHEKDM4E
SCHEMBL3948845 0.79 MAPT (0.56) ALDH1A1ACHEKDM4EMEN1MAPT
SCHEMBL30702212 0.79 MAPT (0.56) ALDH1A1ACHEKDM4EMEN1MAPT
SCHEMBL5311960 0.77 KMT2A (0.55) ACHEKDM4EMEN1MAPTKMT2A
SCHEMBL1000380 0.77 ACHE (0.51) ALDH1A1HSD17B10ACHEKDM4EMEN1
SCHEMBL6116289 0.77 METAP1 (0.55) ACHEKDM4EMEN1MAPTKMT2A
SCHEMBL29476747 0.77 ACHE (0.51) ALDH1A1HSD17B10ACHEKDM4EMEN1

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 ALDH1A1 703/4885HBB 2032/4885HSD17B10 142/4885
US-10688063-B2 Treating and/or preventing insulin-resistance related weight gain IGFBP1, IGFBP2, ACACA ALDH1A1 703/4885HBB 2032/4885HSD17B10 142/4885

“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.