SCHEMBL11950286

SCHEMBL11950286

O=C(OCc1ccccc1)C1CC2C=CC1CC2

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 1/20 0.52
F2 P00734 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
RAB9A P51151 2/20 0.44
TSHR P16473 1/20 0.43
CPB1 P15086 1/20 0.43
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL10532151 0.89 ALDH1A1 (0.64) ALDH1A1KMT2ACA1CA2RAB9A
SCHEMBL2994567 0.89 ALDH1A1 (0.64) ALDH1A1KMT2ACA1CA2RAB9A
SCHEMBL7234117 0.79 CA1 (0.59) ALDH1A1KMT2ACA1CA2RAB9A
SCHEMBL22604708 0.78 ALDH1A1 (0.56) ALDH1A1KMT2ACA1CA2RAB9A
SCHEMBL21984268 0.77 ALDH1A1 (0.55) ALDH1A1KMT2AF2RAB9ATSHR
SCHEMBL20581107 0.77 ALDH1A1 (0.55) ALDH1A1KMT2AF2RAB9ATSHR
SCHEMBL21361580 0.77 ALDH1A1 (0.55) ALDH1A1KMT2AF2RAB9ATSHR
SCHEMBL19387893 0.76 ALDH1A1 (0.39) ALDH1A1KMT2ACA1CA2RAB9A
SCHEMBL16728405 0.76 ALDH1A1 (0.39) ALDH1A1KMT2ACA1CA2RAB9A
SCHEMBL29928799 0.76 ALDH1A1 (0.39) ALDH1A1KMT2ACA1CA2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2495229-B1 LOW-MOLECULAR COMPOUND, POLYMER, MATERIAL FOR ELECTRONIC DEVICES, COMPOSITION FOR ELECTRONIC DEVICES, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC SOLAR CELL ELEMENT, DISPLAY AND LIGHTING EQUIPMENT MITSUBISHI CHEM CORP (JP) 2016-06-01 EP disclosed
US-20120193617-A1 LOW-MOLECULAR COMPOUND, POLYMER, ELECTRONIC-DEVICE MATERIAL, COMPOSITION FOR ELECTRONIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC SOLAR CELL ELEMENT, DISPLAY AND LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-02 US disclosed
US-20120193617-A1 LOW-MOLECULAR COMPOUND, POLYMER, ELECTRONIC-DEVICE MATERIAL, COMPOSITION FOR ELECTRONIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC SOLAR CELL ELEMENT, DISPLAY AND LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-02 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-20120193617-A1 LOW-MOLECULAR COMPOUND, POLYMER, ELECTRONIC-DEVICE MATERIAL, COMPOSITION FOR ELECTRONIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC SOLAR CELL ELEMENT, DISPLAY AND LIGHTING EPCAM, CDH1, THEM6 ALDH1A1 2277/4885KMT2A 1717/4885F2 1215/4885

“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.