SCHEMBL3114544

SCHEMBL3114544

C=C(C)OC(C)(C)c1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.50
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46
NR1H4 Q96RI1 3/20 0.44
EPHX2 P34913 2/20 0.44
RXRA P19793 3/20 0.43
RXRB P28702 3/20 0.43
NR4A2 P43354 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
RXRG P48443 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.40

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
SCHEMBL3121853 0.87 MAPT (0.44) NR1H4EPHX2MEN1KMT2AALDH1A1
SCHEMBL3118521 0.84 ALDH1A1 (0.39) TSHRTDP1MEN1KMT2AALDH1A1
SCHEMBL3126646 0.79 ALDH1A1 (0.35) TSHRALDH1A1HSD17B10
SCHEMBL3124942 0.79 ESR1 (0.44) TP53TSHRMEN1CYP1A2KMT2A
SCHEMBL3108654 0.79 ALDH1A1 (0.56) CYP1A2KMT2AALDH1A1SMN1; SMN2
SCHEMBL3127822 0.77 LMNA (0.48) TP53TDP1MEN1KMT2AALDH1A1
SCHEMBL3121762 0.77 ALDH1A1 (0.34) MEN1KMT2AALDH1A1
SCHEMBL3118620 0.77 TSHR (0.44) TSHRTDP1CA1CA2ALDH1A1
SCHEMBL103563 0.77 SRD5A2 (0.57) SRD5A2RARBRARGNR1H4EPHX2
SCHEMBL9449169 0.77 ALDH1A1 (0.59) SRD5A2RARBRARGNR1H4EPHX2

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-7732645-B2 Aromatic vinyl ether compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-08 US disclosed
EP-2161248-A1 Aromatic vinyl ether compounds Daicel Chemical Industries, Ltd. (JP) 2010-03-10 EP disclosed
US-7518021-B2 Aromatic vinyl ether compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-04-14 US disclosed
US-20090088592-A1 AROMATIC VINYL ETHER COMPOUNDS IWAHAMA TAKAHIRO 2009-04-02 US disclosed
US-20040181098-A1 Aromatic vinyl ether compounds EMORY UNIVERSITY 2004-09-16 US disclosed
EP-1413568-A2 Aromatic vinyl ether compounds Daicel Chemical Industries, Ltd. (JP) 2004-04-28 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-20040181098-A1 Aromatic vinyl ether compounds SUV39H2, SUV39H1, RAVER1 SRD5A2 787/4885RARB 645/4885RARG 372/4885
US-20090088592-A1 AROMATIC VINYL ETHER COMPOUNDS SUV39H2, SUV39H1, RAVER1 SRD5A2 698/4885RARB 315/4885RARG 180/4885

“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.