SCHEMBL9916260

SCHEMBL9916260

CC(C)c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6ccccc6c5)ccc3n4-c3ccccc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.40
▸ AKR1C2 P52895 2/20 0.40
▸ ESR1 P03372 2/20 0.39
▸ ESR2 Q92731 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ UGT2B7 P16662 1/20 0.38
▸ DHFR P00374 1/20 0.38
▸ SGK1 O00141 1/20 0.38
▸ PIK3CD O00329 2/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PTGES O14684 1/20 0.36
▸ DHODH Q02127 2/20 0.36
▸ ATP1A1 P05023 1/20 0.36
▸ ATP1B1 P05026 1/20 0.36
▸ ATP1A3 P13637 1/20 0.36
▸ ATP1B2 P14415 1/20 0.36

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
SCHEMBL21375272 0.96 SMN1; SMN2 (0.38) AKR1C3AKR1C2ESR1ESR2KDM4E
SCHEMBL26415868 0.94 AKR1C3 (0.40) AKR1C3AKR1C2ESR1ESR2KDM4E
SCHEMBL9916258 0.91 KDM4E (0.43) ESR2KDM4EATML3MBTL1DHFR
SCHEMBL29516803 0.90 ESR1 (0.47) ESR1ESR2KDM4EATML3MBTL1
SCHEMBL10130160 0.90 ESR1 (0.47) ESR1ESR2KDM4EATML3MBTL1
SCHEMBL9916254 0.89 KDM4E (0.53) KDM4EATML3MBTL1DHFRSMN1; SMN2
SCHEMBL9916264 0.89 KDM4E (0.53) KDM4EATML3MBTL1DHFRSMN1; SMN2
SCHEMBL9916256 0.89 KDM4E (0.53) KDM4EATML3MBTL1DHFRSMN1; SMN2
SCHEMBL9916243 0.89 KDM4E (0.53) KDM4EATML3MBTL1DHFRSMN1; SMN2
SCHEMBL21076116 0.88 SMN1; SMN2 (0.40) ESR2KDM4EATML3MBTL1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20170162790-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME RER1, NR4A1, REL AKR1C3 936/4885AKR1C2 1122/4885ESR1 13/4885
US-20120146014-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME PNMT, TYR, AOC2 AKR1C3 4588/4885AKR1C2 3992/4885ESR1 54/4885
US-20160064669-A1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME PNMT, TYR, AOC2 AKR1C3 4588/4885AKR1C2 3992/4885ESR1 54/4885

“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.

Send feedback