SCHEMBL9950840

SCHEMBL9950840

CCn1cc(OCc2ccccc2)ccc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ MAPK14 Q16539 1/20 0.49
▸ PKM P14618 2/20 0.47
▸ MAOB P27338 3/20 0.46
▸ GSTP1 P09211 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ HIF1A Q16665 1/20 0.46

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
SCHEMBL31599546 0.86 MAPK14 (0.61) NPC1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL4484736 0.77 MAPK14 (0.76) MAPK14
SCHEMBL30640876 0.74 KMT2A (0.55) NPC1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL24820991 0.73 BRD4 (0.48) SMN1; SMN2ALDH1A1KDM4EMAPK14LMNA
SCHEMBL14889048 0.73 MCHR1 (0.53) NPC1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL21178247 0.72 LTB4R (0.68) NPC1MEN1KMT2AMAOBRAB9A
SCHEMBL2434338 0.72 LTB4R (0.61) SMN1; SMN2ALDH1A1KDM4EMAOBLMNA
SCHEMBL28500192 0.72 MEN1 (0.57) NPC1MEN1KMT2AMAPK14PKM
SCHEMBL30507422 0.72 MEN1 (0.57) NPC1MEN1KMT2AMAPK14PKM
SCHEMBL31086617 0.72 CYP4F2 (0.55) MAOBGSTP1LMNACYP1A2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 — — US disclosed
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 — — US disclosed
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 — — 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 (1 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-20120165339-A1 CYCLOPROPANE DERIVATIVES HCRTR2, HCRTR1, CNR1 NPC1 710/4885SMN1; SMN2 592/4885MEN1 2871/4885

“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.

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