SCHEMBL4401967

SCHEMBL4401967

C=C(C)C(=O)OCCOc1ccc(OCC2CO2)cc1OCC1CO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TP53 P04637 3/20 0.42
TSHR P16473 3/20 0.42
HIF1A Q16665 2/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
PKM P14618 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
PPARG P37231 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
GLA P06280 1/20 0.37

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
SCHEMBL4399568 0.99 ALDH1A1 (0.51) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL4401095 0.98 ALDH1A1 (0.50) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL4399549 0.97 ALDH1A1 (0.51) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL4399533 0.87 ALDH1A1 (0.59) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL21373896 0.84 ALDH1A1 (0.49) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL4402111 0.83 ALDH1A1 (0.55) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL7605012 0.83 ALDH1A1 (0.55) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL21680104 0.81 ALDH1A1 (0.55) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL4401955 0.80 ALDH1A1 (0.64) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL7661052 0.80 ALDH1A1 (0.64) ALDH1A1TP53TSHRHIF1ASMN1; SMN2

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-8173756-B2 Photopolymerizable monomers having epoxide and unsaturated double bonds and their composition INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2012-05-08 US disclosed
US-8173756-B2 Photopolymerizable monomers having epoxide and unsaturated double bonds and their composition INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2012-05-08 US disclosed
US-20090163683-A1 PHOTOPOLYMERIZABLE MONOMERS HAVING EPOXIDE AND UNSATURATED DOUBLE BONDS AND THEIR COMPOSITION INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2009-06-25 US disclosed
US-20090163683-A1 PHOTOPOLYMERIZABLE MONOMERS HAVING EPOXIDE AND UNSATURATED DOUBLE BONDS AND THEIR COMPOSITION INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2009-06-25 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-20090163683-A1 PHOTOPOLYMERIZABLE MONOMERS HAVING EPOXIDE AND UNSATURATED DOUBLE BONDS AND THEIR COMPOSITION PCNA, EPHX2, ALOX12 ALDH1A1 1077/4885TP53 3370/4885TSHR 4817/4885

“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.