SCHEMBL9916238

SCHEMBL9916238

CC(C)c1ccc(-c2ccc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.47
RAB9A P51151 4/20 0.46
MAPT P10636 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PAX8 Q06710 1/20 0.46
NOD2 Q9HC29 1/20 0.46
HDAC6 Q9UBN7 2/20 0.40
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MMP12 P39900 2/20 0.39
MMP13 P45452 2/20 0.39
KDM4E B2RXH2 3/20 0.39
PTPN7 P35236 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN12 Q05209 1/20 0.38

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
SCHEMBL9916222 1.00 GPR3 (0.47) GPR3RAB9AMAPTL3MBTL1PAX8
SCHEMBL9916231 1.00 GPR3 (0.47) GPR3RAB9AMAPTL3MBTL1PAX8
SCHEMBL9916221 0.90 MAPT (0.47) GPR3RAB9AMAPTL3MBTL1PAX8
SCHEMBL9916217 0.90 MAPT (0.47) GPR3RAB9AMAPTL3MBTL1PAX8
SCHEMBL13766465 0.88 RAB9A (0.39) RAB9AMAPTL3MBTL1PAX8NOD2
SCHEMBL19979629 0.87 GPR3 (0.44) GPR3RAB9AMAPTL3MBTL1PAX8
SCHEMBL22258696 0.87 RXRA (0.45) GPR3RAB9AMAPTL3MBTL1PAX8
SCHEMBL14295237 0.87 RXRA (0.44) RAB9AMAPTL3MBTL1PAX8NOD2
SCHEMBL1102421 0.86 GPR3 (0.54) GPR3RAB9AMAPTL3MBTL1PAX8
SCHEMBL20706794 0.84 GPR3 (0.67) GPR3RAB9AMAPTL3MBTL1TNKS

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-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-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 (5 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 GPR3 872/4885RAB9A 738/4885MAPT 2113/4885
US-20190288208-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME RER1, NR4A1, REL GPR3 872/4885RAB9A 738/4885MAPT 2113/4885
US-20120146014-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME PNMT, TYR, AOC2 GPR3 3805/4885RAB9A 1734/4885MAPT 245/4885
US-20160064669-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME PNMT, TYR, AOC2 GPR3 3805/4885RAB9A 1734/4885MAPT 245/4885
US-11335858-B2 Aromatic amine derivatives and organic electroluminescent elements using same RER1, NR4A1, REL GPR3 872/4885RAB9A 738/4885MAPT 2113/4885

“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.