SCHEMBL20032067

SCHEMBL20032067

CCC(CC)c1ccc(OCC(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ACACB O00763 3/20 0.45
HPGD P15428 3/20 0.44
POLB P06746 2/20 0.44
XBP1 P17861 1/20 0.44
FFAR1 O14842 2/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GPR88 Q9GZN0 1/20 0.41
MEN1 O00255 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
NQO1 P15559 1/20 0.39

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
SCHEMBL18100898 0.84 ALDH1A1 (0.59) MAPTACACBHPGDPOLBXBP1
SCHEMBL123415 0.82 MAPT (0.55) MAPTACACBHPGDPOLBXBP1
SCHEMBL12188825 0.81 NQO1 (0.64) MAPTACACBFFAR1ALDH1A1KDM4E
SCHEMBL9906017 0.81 KMT2A (0.50) MAPTACACBHPGDPOLBXBP1
SCHEMBL7329813 0.79 NQO1 (0.67) MAPTHPGDPOLBXBP1ALDH1A1
SCHEMBL25519766 0.78 ADRA2A (0.35) MAPTACACBFFAR1ALDH1A1CYP2C9
SCHEMBL18713702 0.78 TSHR (0.45) KDM4ETSHRLMNA
SCHEMBL18713940 0.78 LTA4H (0.50) MAPTACACBHPGDALDH1A1LMNA
SCHEMBL24974023 0.78 MAPT (0.46) MAPTACACBHPGDPOLBXBP1
SCHEMBL20969625 0.78 MAPT (0.46) MAPTACACBHPGDPOLBXBP1

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-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 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-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A MAPT 4256/4885ACACB 1568/4885HPGD 140/4885

“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.