SCHEMBL2928489

SCHEMBL2928489

CCC(C)(C)P(C)C(C)(C)CC

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 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
SCHEMBL2927939 0.80
SCHEMBL13294358 0.77 TSHR (0.40) TSHRTDP1ALDH1A1
SCHEMBL13294360 0.76
SCHEMBL1155857 0.72 TSHR (0.43) TSHRTDP1ALDH1A1
SCHEMBL14244691 0.67 TSHR (0.38) TSHRTDP1
SCHEMBL3835989 0.67 TSHR (0.38) TSHRTDP1
SCHEMBL2930618 0.67 TSHR (0.38) TSHRTDP1
SCHEMBL3836817 0.67 TSHR (0.38) TSHRTDP1
SCHEMBL2929567 0.67 TSHR (0.38) TSHRTDP1
Phosphine SCHEMBL23111707 0.65 TSHR (0.35) TSHRTDP1

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
US-7709680-B2 Preparation of polyisocyanates containing uretdione groups using phosphine catalysts BAYER MATERIALSCIENCE AG (DE) 2010-05-04 US disclosed
EP-1982979-B1 Manufacture of polyisocyanates containing uretdione groups BAYER MATERIALSCIENCE AG (DE) 2010-01-27 EP disclosed
US-20080262262-A1 Preparation of polyisocyanates containing uretdione groups using phosphine catalysts BAYER MATERIALSCIENCE AG 2008-10-23 US disclosed
EP-1982979-A1 Manufacture of polyisocyanates containing uretdione groups Bayer MaterialScience AG (DE) 2008-10-22 EP 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-20080262262-A1 Preparation of polyisocyanates containing uretdione groups using phosphine catalysts PPIP5K2, IPMK, INPP5B TSHR 4316/4885TDP1 3481/4885ALDH1A1 4037/4885

“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.