SCHEMBL3961440

SCHEMBL3961440

C=CCc1c(O)ccc2c1OC(C)(C)CC2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.43
SRD5A1 P18405 1/20 0.42
SLC22A12 Q96S37 7/20 0.40
SLC2A9 Q9NRM0 2/20 0.40
XDH P47989 1/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
MITF O75030 1/20 0.39
ALPL P05186 1/20 0.39
POLB P06746 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN1 P18031 3/20 0.39
CYP19A1 P11511 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 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
SCHEMBL3961766 0.82 ALDH1A1 (0.46) KDM4EALDH1A1MAPTGAAPOLB
SCHEMBL10402573 0.78 ALDH1A1 (0.54) KDM4EALDH1A1MAPTGAAPOLB
SCHEMBL30251078 0.77 ALDH1A1 (0.53) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL1983678 0.77 ALDH1A1 (0.53) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL10508016 0.73 AKT1 (0.39) KDM4EALDH1A1MAPTSLC22A12SLC2A9
SCHEMBL543748 0.71 FFAR4 (0.38) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL3955507 0.70 ALDH1A1 (0.52) KDM4EALDH1A1MAPTSRD5A1GAA
SCHEMBL5042254 0.70 KDM4E (0.40) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL9511662 0.70 ESR1 (0.33) KDM4EALDH1A1MAPTSLC22A12SLC2A9
SCHEMBL10408575 0.70 ESR1 (0.35) KDM4EALDH1A1MAPTSLC22A12SLC2A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538123-B2 Indole derivative having piperidine ring EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-05-26 US disclosed
US-7538123-B2 Indole derivative having piperidine ring EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-05-26 US disclosed
US-7538123-B2 Indole derivative having piperidine ring EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-05-26 US disclosed
US-20080227815-A1 Crystal of Indole Derivative Having Piperidine Ring and Process for Production Thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-18 US disclosed
EP-1880994-A1 CRYSTAL OF INDOLE DERIVATIVE HAVING PIPERIDINE RING AND PROCESS FOR PRODUCTION THEREOF Eisai R&D Management Co., Ltd. (JP) 2008-01-23 EP disclosed
US-20070219179-A1 Indole Derivative Having Piperidine Ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219179-A1 Indole Derivative Having Piperidine Ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219179-A1 Indole Derivative Having Piperidine Ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-09-20 US disclosed
EP-1757599-A1 INDOLE DERIVATIVES HAVING PIPERIDINE RINGS Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
EP-1757599-A1 INDOLE DERIVATIVES HAVING PIPERIDINE RINGS Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
US-20050256103-A1 Indole derivative having piperidine ring EISAI CO., LTD. 2005-11-17 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-20080227815-A1 Crystal of Indole Derivative Having Piperidine Ring and Process for Production Thereof IDO1, IDO2, INMT KDM4E 112/4885ALDH1A1 1367/4885MAPT 675/4885
US-20070219179-A1 Indole Derivative Having Piperidine Ring HTR5A, HTR2C, HTR1A KDM4E 1505/4885ALDH1A1 310/4885MAPT 3438/4885
US-20050256103-A1 Indole derivative having piperidine ring HTR5A, HTR2C, HTR1A KDM4E 1558/4885ALDH1A1 295/4885MAPT 3401/4885

“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.