SCHEMBL2029635

SCHEMBL2029635

CC(=C[C@H]1CC2CCC1(C)C2(C)C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EPHX2 P34913 3/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
ELANE P08246 1/20 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
SCHEMBL17745706 1.00 KMT2A (0.39) KMT2ACYP2C19MEN1HTTSMN1; SMN2
SCHEMBL21799353 1.00 KMT2A (0.39) KMT2ACYP2C19MEN1HTTSMN1; SMN2
SCHEMBL26529 1.00 KMT2A (0.39) KMT2ACYP2C19MEN1HTTSMN1; SMN2
SCHEMBL20357288 1.00 KMT2A (0.39) KMT2ACYP2C19MEN1HTTSMN1; SMN2
SCHEMBL9418339 0.90 MEN1 (0.34) KMT2ACYP2C19MEN1HTTSMN1; SMN2
SCHEMBL15826282 0.87 KMT2A (0.32) KMT2ACYP2C19MEN1HTTSMN1; SMN2
SCHEMBL444447 0.86 EPHX2 (0.38) KMT2ACYP2C19MEN1HTTSMN1; SMN2
SCHEMBL3778927 0.84 ALDH1A1 (0.32) KMT2ACYP2C19MEN1HTTSMN1; SMN2
SCHEMBL29272738 0.83 EPHX2 (0.39) KMT2ACYP2C19MEN1HTTSMN1; SMN2
SCHEMBL8157774 0.83 MEN1 (0.35) KMT2ACYP2C19MEN1HTTSMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004050-B1 CYANOSTILBENES ROLIC TECH AG (CH) 2020-09-02 EP disclosed
US-10329486-B2 Cyanostilbenes ROLIC AG (CH) 2019-06-25 US disclosed
EP-3004050-A1 CYANOSTILBENES Rolic AG (CH) 2016-04-13 EP disclosed
US-20160083655-A1 CYANOSTILBENES ROLIC AG (CH) 2016-03-24 US disclosed
WO-2014191292-A1 CYANOSTILBENES ROLIC AG (CH) 2014-12-04 WO disclosed
US-7959990-B2 Adjustment of liquid crystals; oligomers, dendrimers, or polymer in solution is applied to support; crosslinking by radiation or polarized light ROLIC AG (CH) 2011-06-14 US disclosed
EP-1928979-B1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2009-03-04 EP disclosed
US-20080274304-A1 Functionalized Photoreactive Compounds ROLIC AG (CH) 2008-11-06 US disclosed
EP-1928979-A1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS Rolic AG (CH) 2008-06-11 EP disclosed
WO-2007033506-A1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2007-03-29 WO disclosed
EP-1764405-A1 Functionalized photoreactive compounds Rolic AG (CH) 2007-03-21 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 (3 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-20080274304-A1 Functionalized Photoreactive Compounds PCNA, PIN1, MAP1LC3C KMT2A 3167/4885CYP2C19 169/4885MEN1 3329/4885
US-20160083655-A1 CYANOSTILBENES LATS1, LATS2, CRY1 KMT2A 2902/4885CYP2C19 4469/4885MEN1 4064/4885
US-10329486-B2 Cyanostilbenes LATS1, LATS2, CRY1 KMT2A 2902/4885CYP2C19 4469/4885MEN1 4064/4885

“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.