SCHEMBL9916221

SCHEMBL9916221

CC(C)c1ccc(-c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
GPR3 P46089 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
PAX8 Q06710 1/20 0.46
NOD2 Q9HC29 1/20 0.46
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
KIF11 P52732 1/20 0.40
PTPN5 P54829 1/20 0.38
DHODH Q02127 1/20 0.38
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
LIMK1 P53667 1/20 0.35

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
SCHEMBL9916217 1.00 MAPT (0.47) MAPTRAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL9916231 0.90 GPR3 (0.47) MAPTRAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL9916222 0.90 GPR3 (0.47) MAPTRAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL9916238 0.90 GPR3 (0.47) MAPTRAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL24245992 0.87 RXRA (0.44) MAPTRAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL14295228 0.87 RXRA (0.44) MAPTRAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL13338346 0.86 GPR3 (0.54) MAPTRAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL15315547 0.86 MAPT (0.44) MAPTRAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL24171044 0.86 GPR3 (0.64) MAPTRAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL25120452 0.84 GPR3 (0.67) MAPTRAB9ASMN1; SMN2ALDH1A1HPGD

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 10 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-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 (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 MAPT 2113/4885RAB9A 738/4885SMN1; SMN2 1582/4885
US-20190288208-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME RER1, NR4A1, REL MAPT 2113/4885RAB9A 738/4885SMN1; SMN2 1582/4885
US-10355218-B2 Aromatic amine derivatives and organic electroluminescent elements using same RER1, NR4A1, REL MAPT 2116/4885RAB9A 745/4885SMN1; SMN2 1576/4885
US-20120146014-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME PNMT, TYR, AOC2 MAPT 245/4885RAB9A 1734/4885SMN1; SMN2 2078/4885
US-20160064669-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME PNMT, TYR, AOC2 MAPT 245/4885RAB9A 1734/4885SMN1; SMN2 2078/4885
US-11335858-B2 Aromatic amine derivatives and organic electroluminescent elements using same RER1, NR4A1, REL MAPT 2113/4885RAB9A 738/4885SMN1; SMN2 1582/4885

“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.