SCHEMBL4829620

SCHEMBL4829620

CC(=O)Oc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.69
HSD17B10 Q99714 2/20 0.58
BACE1 P56817 1/20 0.56
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 1/20 0.49
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
MAOB P27338 1/20 0.46
ELANE P08246 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL839809 0.94 KIF11 (0.59) KIF11HSD17B10BACE1LMNAKDM4E
SCHEMBL8329346 0.89 KIF11 (0.54) KIF11HSD17B10BACE1LMNAKDM4E
SCHEMBL6204306 0.87 KIF11 (0.71) KIF11HSD17B10BACE1ALDH1A1PPARD
SCHEMBL11059672 0.84 PRSS1 (0.62) KIF11HSD17B10LMNACYP2C19CYP1A1
SCHEMBL23059793 0.84 KIF11 (0.50) KIF11HSD17B10BACE1LMNAKDM4E
SCHEMBL9158246 0.84 HSD17B10 (0.76) HSD17B10BACE1LMNAKDM4EALDH1A1
SCHEMBL329365 0.84 HSD17B10 (0.76) HSD17B10BACE1LMNAKDM4EALDH1A1
SCHEMBL18459381 0.83 KIF11 (0.61) KIF11HSD17B10BACE1MAOBELANE
Water SCHEMBL9344643 0.82 HSD17B10 (0.73) HSD17B10BACE1LMNAKDM4EALDH1A1
SCHEMBL16926028 0.81 APP (0.58) KIF11HSD17B10BACE1KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US claimed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US claimed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO claimed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 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-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO KIF11 1340/4885HSD17B10 490/4885BACE1 3477/4885

“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.