SCHEMBL1160085

SCHEMBL1160085

O=C1CCCc2cc[nH]c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
CYP2A6 P11509 1/20 0.43
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PRKCI P41743 1/20 0.38
MAP2K1 Q02750 1/20 0.38
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 4/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 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
SCHEMBL18250040 0.95 MAOA (0.39) MAOAMAOBCYP2A6HSD17B10MEN1
SCHEMBL18013299 0.86
SCHEMBL11153643 0.74 HSD17B10 (0.42) MAOAMAOBCYP2A6HSD17B10MEN1
SCHEMBL7156772 0.72 MAP2K1 (0.52) MEN1KMT2APRKCIMAP2K1MAPT
SCHEMBL4723110 0.71 PARP1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23649556 0.70 CYP2A6 (0.50) MAOAMAOBCYP2A6MAPTHPGD
SCHEMBL30927668 0.69 BRD4 (0.41) HSD17B10MEN1KMT2AMAPTKDM4E
SCHEMBL2778228 0.69
SCHEMBL15829265 0.68 MAPT (0.48) MAOAMAOBCYP2A6GRIN2DGRIN3B
SCHEMBL31681754 0.68 MEN1 (0.40) HSD17B10MEN1KMT2AMAPTKDM4E

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-11530181-B2 IL-6 inhibitors and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-12-20 US disclosed
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2021-07-08 US disclosed
WO-2019165158-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-08-29 WO disclosed
US-20120129884-A1 PHOTOCHEMOTHERAPEUTIC HETEROCYCLIC AGENTS HAVING ANTIPROLIFERATIVE AND ANTINEOPLASTIC ACTIVITY UNIVERSITA DEGLI STUDI DI PADOVA (IT) 2012-05-24 US disclosed
WO-2011013159-A1 PHOTOCHEMOTHERAPEUTIC HETEROCYCLIC AGENTS HAVING ANTIPROLIFERATIVE AND ANTINEOPLASTIC ACTIVITY UNIVERSITÀ DEGLI STUDI DI PADOVA (IT) 2011-02-03 WO disclosed
US-20070066664-A1 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES, MATERIALS FOR THEIR SYNTHESIS PFIZER INC 2007-03-22 US disclosed
US-7169932-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses, material for their synthesis PFIZER INC. (US) 2007-01-30 US disclosed
US-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis CANAN KOCH STACIE S 2007-01-25 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-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis SERPINB1, PEPD, PREP MAOA 556/4885MAOB 313/4885CYP2A6 790/4885
US-11530181-B2 IL-6 inhibitors and methods of treatment IL6, IL6ST, IL2 MAOA 1904/4885MAOB 1488/4885CYP2A6 85/4885
US-20070066664-A1 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES, MATERIALS FOR THEIR SYNTHESIS SERPINB1, PEPD, PREP MAOA 571/4885MAOB 324/4885CYP2A6 828/4885
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT IL6, IL6ST, IL2 MAOA 1904/4885MAOB 1488/4885CYP2A6 85/4885
US-20120129884-A1 PHOTOCHEMOTHERAPEUTIC HETEROCYCLIC AGENTS HAVING ANTIPROLIFERATIVE AND ANTINEOPLASTIC ACTIVITY PCNA, ERCC4, UBQLN2 MAOA 2639/4885MAOB 2686/4885CYP2A6 2060/4885

“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.