SCHEMBL13636819

SCHEMBL13636819

CC1(C)CCC(C)(C)c2cc(/C=C/c3ccc(N)cc3)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.63
RARG P13631 9/20 0.63
RARA P10276 8/20 0.63
CYP26A1 O43174 3/20 0.47
CYP19A1 P11511 8/20 0.46
RXRA P19793 3/20 0.44
CYP26B1 Q9NR63 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
NQO2 P16083 1/20 0.42
CYP3A4 P08684 2/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL7548239 0.84 RARB (0.69) RARBRARGRARACYP26A1RXRA
SCHEMBL7548252 0.84 RARB (0.69) RARBRARGRARACYP26A1RXRA
4-Aminophenol SCHEMBL10842256 0.83 RARB (0.79) RARBRARGRARACYP26A1RXRA
4-Aminophenol SCHEMBL10842270 0.83 RARB (0.79) RARBRARGRARACYP26A1RXRA
SCHEMBL10842264 0.83 RARB (0.63) RARBRARGRARACYP26A1CYP19A1
SCHEMBL10645941 0.83 RARB (0.68) RARBRARGRARACYP26A1CYP19A1
SCHEMBL10645938 0.83 RARB (0.68) RARBRARGRARACYP26A1CYP19A1
SCHEMBL10643492 0.81 RARA (0.61) RARBRARGRARACYP19A1NQO2
SCHEMBL13636771 0.81 RARB (0.61) RARBRARGRARACYP26A1RXRA
SCHEMBL10643499 0.81 RARA (0.61) RARBRARGRARACYP19A1NQO2

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-8785001-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-07-22 US disclosed
US-8304095-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-11-06 US disclosed
US-20080297037-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-12-04 US disclosed
US-20080272693-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-11-06 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-20080272693-A1 Organic Electroluminescent Devices EML4, MT-ND4L, EPCAM RARB 1540/4885RARG 2167/4885RARA 2274/4885

“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.