SCHEMBL3420519

SCHEMBL3420519

OCCCCCC(Cl)CO

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MIF P14174 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL3421460 1.00 TSHR (0.41) TSHRTP53TDP1LMNAALDH1A1
SCHEMBL3418666 0.97
SCHEMBL2541675 0.88 LMNA (0.38) TSHRTP53TDP1LMNAALDH1A1
SCHEMBL3414650 0.88
SCHEMBL2541006 0.88 LMNA (0.38) TSHRTP53TDP1LMNAALDH1A1
SCHEMBL2538612 0.88 LMNA (0.38) TSHRTP53TDP1LMNAALDH1A1
SCHEMBL2540561 0.88 LMNA (0.38) TSHRTP53TDP1LMNAALDH1A1
SCHEMBL28027258 0.88
SCHEMBL7517922 0.88 TDP1 (0.50) TSHRTP53TDP1LMNA
SCHEMBL7521052 0.88 TDP1 (0.50) TSHRTP53TDP1LMNA

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-20100130712-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION USING THE SAME, AND RESIN CURED PRODUCT IDEMITSU KOSAN CO., LTD. (JP) 2010-05-27 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-20100130712-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION USING THE SAME, AND RESIN CURED PRODUCT ARCN1, APP, ADAM17 TSHR 4737/4885TP53 3930/4885TDP1 551/4885

“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.