SCHEMBL16632796

SCHEMBL16632796

CCC(CCCCOCC1CO1)OCC1CO1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
ALDH1A1 P00352 4/20 0.57
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
MAPK1 P28482 1/20 0.37
PDK1 Q15118 1/20 0.32
SPHK2 Q9NRA0 2/20 0.30
SPHK1 Q9NYA1 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
SCHEMBL16424215 0.98 ALDH1A1 (0.60) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL16424382 0.98 ALDH1A1 (0.60) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL16424451 0.98 ALDH1A1 (0.60) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL16390481 0.95 SMN1; SMN2 (0.58) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL16423873 0.89 ALDH1A1 (0.70) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL16423572 0.89 ALDH1A1 (0.60) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL16423840 0.89 ALDH1A1 (0.65) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL16424471 0.88 SMN1; SMN2 (0.52) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL16423614 0.88 ALDH1A1 (0.63) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL16423888 0.88 ALDH1A1 (0.68) TSHRALDH1A1TDP1SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9226924-B2 Methods of treating or preventing neuropathic pain TORAY INDUSTRIES, INC. (JP) 2016-01-05 US disclosed
US-20150105430-A1 METHODS OF TREATING OR PREVENTING NEUROPATHIC PAIN TORAY INDUSTREIS INC (JP) 2015-04-16 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-20150105430-A1 METHODS OF TREATING OR PREVENTING NEUROPATHIC PAIN CACNB2, CACNG2, SCN2A TSHR 4075/4885ALDH1A1 1427/4885TDP1 3606/4885

“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.