SCHEMBL2803810

SCHEMBL2803810

CCCCC[CH]CC1CO1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
EPHX1 P07099 1/20 0.38
TSHR P16473 2/20 0.34
ENPP2 Q13822 8/20 0.34
LPAR2 Q9HBW0 5/20 0.34

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
SCHEMBL501328 0.98 ALDH1A1 (0.54) ALDH1A1TDP1SMN1; SMN2EPHX1TSHR
SCHEMBL9017069 0.98 ALDH1A1 (0.54) ALDH1A1TDP1SMN1; SMN2EPHX1TSHR
SCHEMBL16774607 0.98 ALDH1A1 (0.54) ALDH1A1TDP1SMN1; SMN2EPHX1TSHR
SCHEMBL9017115 0.98 ALDH1A1 (0.54) ALDH1A1TDP1SMN1; SMN2EPHX1TSHR
SCHEMBL2803719 0.93
SCHEMBL29046151 0.92 ALDH1A1 (0.48) ALDH1A1TSHRENPP2LPAR2
SCHEMBL2800934 0.84
SCHEMBL858459 0.82 EPHX1 (0.57) ALDH1A1TDP1SMN1; SMN2EPHX1TSHR
SCHEMBL5531293 0.82 EPHX1 (0.57) ALDH1A1TDP1SMN1; SMN2EPHX1TSHR
SCHEMBL5382779 0.82 EPHX1 (0.57) ALDH1A1TDP1SMN1; SMN2EPHX1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404860-B2 Compound having hydantoin ring and method of producing the same TOKUYAMA CORPORATION (JP) 2013-03-26 US disclosed
US-20120289705-A1 COMPOUND HAVING HYDANTOIN RING AND METHOD OF PRODUCING THE SAME SHIIGI HIROFUMI (JP) 2012-11-15 US disclosed
US-8258313-B2 Compound having hydantoin ring and method of producing the same TOKUYAMA CORPORATION (JP) 2012-09-04 US disclosed
EP-1184364-B1 COMB-SHAPED DIOL, WATER-SOLUBLE POLYURETHANE, AND USE THEREOF MITSUI CHEMICALS INC (JP) 2010-07-28 EP disclosed
US-20100184993-A1 COMPOUND HAVING HYDANTOIN RING AND METHOD OF PRODUCING THE SAME TOKUYAMA CORPORATION (JP) 2010-07-22 US disclosed
EP-2172459-A1 COMPOUND HAVING HYDANTOIN RING AND METHOD OF PRODUCING THE SAME Tokuyama Corporation (JP) 2010-04-07 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 (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-20120289705-A1 COMPOUND HAVING HYDANTOIN RING AND METHOD OF PRODUCING THE SAME CASP14, CYP8B1, DDT ALDH1A1 2059/4885TDP1 237/4885SMN1; SMN2 1193/4885
US-20100184993-A1 COMPOUND HAVING HYDANTOIN RING AND METHOD OF PRODUCING THE SAME CASP14, CYP8B1, DDT ALDH1A1 2059/4885TDP1 237/4885SMN1; SMN2 1193/4885

“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.