SCHEMBL9917063

SCHEMBL9917063

CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(C#N)cc3)c3ccc(-c4ccc(-c5ccc6oc7ccc8ccccc8c7c6c5)cc4)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.36
PDK2 Q15119 1/20 0.35
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 2/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
TNKS O95271 1/20 0.33
PIM1 P11309 1/20 0.33
ABCG2 Q9UNQ0 2/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL9916396 0.93 ABCG2 (0.36) PGRALDH1A1KDM4EMAPTHPGD
SCHEMBL10110110 0.93 ABCG2 (0.36) PGRALDH1A1KDM4EMAPTHPGD
SCHEMBL10110099 0.93 ABCG2 (0.36) PGRALDH1A1KDM4EMAPTHPGD
SCHEMBL9916662 0.93 ABCG2 (0.36) PGRALDH1A1KDM4EMAPTHPGD
SCHEMBL9916665 0.92 ABCG2 (0.36) PGRALDH1A1KDM4EMAPTHPGD
SCHEMBL9916426 0.92 ABCG2 (0.36) PGRALDH1A1KDM4EMAPTHPGD
SCHEMBL9916397 0.92 ABCG2 (0.36) PGRALDH1A1KDM4EMAPTHPGD
SCHEMBL9917257 0.90 PDK2 (0.38) PGRPDK2ALDH1A1ATMTNKS
SCHEMBL9916410 0.90 ABCG2 (0.34) PGRALDH1A1KDM4EMAPTHPGD
SCHEMBL9916572 0.90 ABCG2 (0.34) PGRPDK2ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11335858-B2 Aromatic amine derivatives and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2022-05-17 US disclosed
US-20190288208-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2019-09-19 US disclosed
US-10355218-B2 Aromatic amine derivatives and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2019-07-16 US disclosed
US-20170162790-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2017-06-08 US disclosed
US-9614160-B2 Aromatic amine derivatives and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2017-04-04 US disclosed
US-20160064669-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-03-03 US disclosed
US-9260390-B2 Aromatic amine derivatives and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2016-02-16 US disclosed
US-20120146014-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-06-14 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 (6 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-20170162790-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME RER1, NR4A1, REL PGR 930/4885PDK2 4164/4885ALDH1A1 340/4885
US-20190288208-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME RER1, NR4A1, REL PGR 930/4885PDK2 4164/4885ALDH1A1 340/4885
US-10355218-B2 Aromatic amine derivatives and organic electroluminescent elements using same RER1, NR4A1, REL PGR 941/4885PDK2 4173/4885ALDH1A1 339/4885
US-20120146014-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME PNMT, TYR, AOC2 PGR 2859/4885PDK2 2412/4885ALDH1A1 538/4885
US-20160064669-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME PNMT, TYR, AOC2 PGR 2859/4885PDK2 2412/4885ALDH1A1 538/4885
US-11335858-B2 Aromatic amine derivatives and organic electroluminescent elements using same RER1, NR4A1, REL PGR 930/4885PDK2 4164/4885ALDH1A1 340/4885

“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.