SCHEMBL20798602

SCHEMBL20798602

CCCCCCC(C)(/C=C/C(=O)O)CCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.43
HSD17B10 Q99714 2/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
APEX1 P27695 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
PTPN1 P18031 2/20 0.39
CES2 O00748 1/20 0.39
PPARG P37231 3/20 0.38
PPARD Q03181 3/20 0.38
PPARA Q07869 3/20 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
SCHEMBL6450425 0.89 HCAR2 (0.41) HCAR2HSD17B10GMNNUSP2CYP1A2
SCHEMBL6025774 0.87 HCAR2 (0.39) HCAR2HSD17B10GMNNUSP2CYP1A2
SCHEMBL18743152 0.84 FDPS (0.38) HSD17B10GMNNUSP2CYP1A2POLB
SCHEMBL27409352 0.81 FDPS (0.39) HSD17B10GMNNUSP2CYP1A2POLB
SCHEMBL6450261 0.81 TBXAS1 (0.50) HCAR2HSD17B10GMNNUSP2CYP1A2
SCHEMBL18743347 0.79 HCAR2 (0.40) HCAR2POLBCYP3A4CES2TSHR
SCHEMBL6447503 0.79 TBXAS1 (0.48) HCAR2HSD17B10GMNNUSP2CYP1A2
SCHEMBL22500984 0.79 TBXAS1 (0.48) HCAR2HSD17B10GMNNUSP2CYP1A2
SCHEMBL26676708 0.78 HCAR2 (0.43) HCAR2HSD17B10PTPN1CES2PPARG
SCHEMBL18767217 0.76 HCAR2 (0.46) HCAR2CYP1A2RECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227356-B2 Compounds, compositions and methods for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2019-03-12 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 (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-10227356-B2 Compounds, compositions and methods for inhibiting CNKSR1 CNKSR1, CAMKK1, CNR1 HCAR2 628/4885HSD17B10 2845/4885GMNN 3366/4885

“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.