SCHEMBL20172787

SCHEMBL20172787

CC(C)c1ccccc1N(C)c1cccc2c1oc1ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.36
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C19 P33261 1/20 0.35
PGR P06401 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TNKS O95271 2/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
MAOA P21397 2/20 0.33
LMNA P02545 2/20 0.33
AHR P35869 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 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
SCHEMBL21019995 0.88 SIGMAR1 (0.37) SIGMAR1TNKSPARP1TNKS2HDAC6
SCHEMBL20650739 0.84 ALOX5 (0.35) ALOX5SIGMAR1MEN1KMT2ACYP2C19
SCHEMBL20172795 0.84 GPR55 (0.38) SIGMAR1MEN1KMT2AALDH1A1MAOA
SCHEMBL20172806 0.83 SIGMAR1 (0.37) SIGMAR1GABRA1GABRB2NPC1RAB9A
SCHEMBL20172861 0.82 SIGMAR1 (0.34) SIGMAR1HDAC6GABRA1GABRB2
SCHEMBL1102400 0.81 ALOX5 (0.42) ALOX5MEN1KMT2ACYP2C19PGR
SCHEMBL20172827 0.81 SIGMAR1 (0.33) SIGMAR1CYP2C19ALDH1A1GABRA1GABRB2
SCHEMBL21021444 0.81 SIGMAR1 (0.33) ALOX5SIGMAR1MEN1KMT2ACYP2C19
SCHEMBL20172791 0.80 PGR (0.40) ALOX5MEN1KMT2ACYP2C19PGR
SCHEMBL20172763 0.80 SIGMAR1 (0.45) ALOX5SIGMAR1MEN1KMT2ACYP2C19

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-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 ALOX5 695/4885SIGMAR1 1467/4885MEN1 801/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 ALOX5 2172/4885SIGMAR1 2480/4885MEN1 565/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 ALOX5 695/4885SIGMAR1 1467/4885MEN1 801/4885

“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.