SCHEMBL6344946

SCHEMBL6344946

OCC(O)C1=CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
HIF1A Q16665 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
SCHEMBL19020347 1.00 IDO1 (0.38) IDO1SMN1; SMN2TP53HDAC4HDAC2
SCHEMBL8665494 0.93
SCHEMBL5473618 0.81 IDO1 (0.37) IDO1SMN1; SMN2TP53HDAC4HDAC2
SCHEMBL27610746 0.81 SMN1; SMN2 (0.34) SMN1; SMN2HDAC4HDAC2HDAC8HDAC6
SCHEMBL4109918 0.81 IDO1 (0.37) IDO1SMN1; SMN2TP53HDAC4HDAC2
SCHEMBL27480405 0.80 HDAC4 (0.32) IDO1HDAC4HDAC2HDAC8HDAC6
SCHEMBL10338316 0.79 SMN1; SMN2 (0.33) SMN1; SMN2TRPV3
SCHEMBL10338313 0.79 SMN1; SMN2 (0.33) SMN1; SMN2TRPV3
SCHEMBL21662744 0.79 IDO1 (0.36) IDO1TP53HIF1A
SCHEMBL25717170 0.79 IDO1 (0.36) IDO1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397336-A4 PREPARATION OF POLYARYL CARBOXYLIC ACIDS HONEYWELL INT INC (US) 2005-12-21 EP disclosed
US-20050065369-A1 Preparation of polyaryl carboxylic acids HONEYWELL INTERNATIONAL INC. 2005-03-24 US disclosed
EP-1397336-A2 PREPARATION OF POLYARYL CARBOXYLIC ACIDS Honeywell International Inc. (US) 2004-03-17 EP disclosed
WO-2002076382-A2 PREPARATION OF POLYARYL CARBOXYLIC ACIDS HONEYWELL INTERNATIONAL, INC. (US) 2002-10-03 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-20050065369-A1 Preparation of polyaryl carboxylic acids PAH, TBCA, GABRA6 IDO1 3977/4885SMN1; SMN2 3324/4885TP53 1296/4885

“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.