SCHEMBL17427064

SCHEMBL17427064

CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(B(O)O)cc1C3(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ENPP2 Q13822 4/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MGLL Q99685 2/20 0.34
PDK2 Q15119 8/20 0.34
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL29400267 0.97 CA2 (0.41) CA1CA2ENPP2KDM4EALDH1A1
SCHEMBL24647 0.97 CA2 (0.41) CA1CA2ENPP2KDM4EALDH1A1
SCHEMBL23258928 0.93 CA1 (0.39) CA1CA2ENPP2KDM4EALDH1A1
SCHEMBL12121799 0.91 CA2 (0.37) CA1CA2ENPP2KDM4EALDH1A1
SCHEMBL12121736 0.91 CA2 (0.37) CA1CA2ENPP2KDM4EALDH1A1
SCHEMBL14508331 0.90 PDK2 (0.41) CA1CA2MGLLPDK2
SCHEMBL13388829 0.90 PDK2 (0.41) CA1CA2MGLLPDK2
SCHEMBL806940 0.90 CA1 (0.41) CA1CA2ENPP2KDM4EALDH1A1
SCHEMBL31576190 0.90 CA1 (0.41) CA1CA2ENPP2KDM4EALDH1A1
SCHEMBL23259341 0.89 CA1 (0.38) CA1CA2ENPP2KDM4EALDH1A1

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-9847492-B2 Organic compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-12-19 US disclosed
US-9847492-B2 Organic compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-12-19 US disclosed
US-20160013420-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-14 US disclosed
US-20160013420-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-14 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-20160013420-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME OXER1, AOX1, CYP1A1 CA1 4295/4885CA2 4226/4885ENPP2 2346/4885

“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.