SCHEMBL6286299

SCHEMBL6286299

Fc1cccc(-c2nc3cc(OCC4CO4)ccc3o2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTRN P46939 3/20 0.52
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 4/20 0.47
TP53 P04637 4/20 0.47
HSD17B10 Q99714 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 3/20 0.47
TSHR P16473 3/20 0.47
MAPK1 P28482 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
CYP3A4 P08684 1/20 0.47
HIF1A Q16665 1/20 0.47
NPC1 O15118 2/20 0.46
GLA P06280 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46

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
SCHEMBL5995331 0.87 ACSL1 (0.53) ALDH1A1MAPTKDM4EHPGDTP53
SCHEMBL5227432 0.87 ACSL1 (0.53) ALDH1A1MAPTKDM4EHPGDTP53
SCHEMBL5227331 0.86 UTRN (0.54) UTRNALDH1A1MAPTKDM4EHPGD
SCHEMBL27672720 0.81 HSD17B10 (0.61) UTRNALDH1A1MAPTKDM4EHPGD
SCHEMBL6284582 0.81 CETP (0.51) UTRNALDH1A1MAPTKDM4EHPGD
SCHEMBL5230999 0.80 UTRN (0.52) UTRNALDH1A1MAPTHPGDTP53
SCHEMBL13254511 0.79 TSHR (0.52) UTRNALDH1A1MAPTKDM4EHPGD
SCHEMBL6448244 0.79 HDAC6 (0.52) HSD17B10TSHRCETPPTPN1PTPN5
SCHEMBL17929619 0.78 MAPT (0.47) MAPTKDM4EHPGDTP53HSD17B10
SCHEMBL17929618 0.78 MAPT (0.47) MAPTKDM4EHPGDTP53HSD17B10

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-6849632-B2 Heteroaryl alkyl piperazine derivatives CV THERAPEUTICS, INC. (US) 2005-02-01 US disclosed
US-20040192702-A1 Heteroaryl alkyl piperazine derivatives ZABLOCKI JEFF (US) 2004-09-30 US disclosed
US-20030216409-A1 Heteroaryl alkyl piperazine derivatives CV THERAPEUTICS, INC. 2003-11-20 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-20040192702-A1 Heteroaryl alkyl piperazine derivatives ATP2A1, CPT1B, ATP2A3 UTRN 1904/4885ALDH1A1 110/4885MAPT 4867/4885
US-20030216409-A1 Heteroaryl alkyl piperazine derivatives ATP2A1, CPT1B, ATP2A3 UTRN 1904/4885ALDH1A1 110/4885MAPT 4867/4885

“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.