SCHEMBL13638976

SCHEMBL13638976

CCC(C)c1cc(F)cc(OC(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FFAR4 Q5NUL3 4/20 0.34
TSHR P16473 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
HDAC4 P56524 1/20 0.30
HDAC2 Q92769 1/20 0.30

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
SCHEMBL19121097 1.00 KAT6A (0.35) KAT6AALDH1A1USP2GAAPKM
SCHEMBL20032104 0.86 NPSR1 (0.35) KAT6ANPSR1FFAR4GRIN2DGRIN3B
SCHEMBL19275144 0.84 ALDH1A1 (0.40) ALDH1A1USP2GAAPKMHPGD
SCHEMBL19121292 0.83 USP2 (0.32) ALDH1A1USP2GAAPKMHPGD
SCHEMBL19121291 0.82 FGFR1 (0.38) KAT6AALDH1A1USP2GAAPKM
SCHEMBL765777 0.81 FFAR4 (0.37) KAT6AALDH1A1NPSR1FFAR4GRIN2D
SCHEMBL15445117 0.80 USP2 (0.44) ALDH1A1USP2GAAPKMHPGD
SCHEMBL10244133 0.80 USP2 (0.44) ALDH1A1USP2GAAPKMHPGD
SCHEMBL10244197 0.80 USP2 (0.44) ALDH1A1USP2GAAPKMHPGD
SCHEMBL21164595 0.80 FFAR4 (0.32) KAT6ANPSR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 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-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A KAT6A 978/4885ALDH1A1 433/4885USP2 4282/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 KAT6A 2793/4885ALDH1A1 3524/4885USP2 4200/4885

“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.