SCHEMBL9951250

SCHEMBL9951250

CCn1cc(/C=C/C2(c3ccccc3)CC2CO)cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.40
HDAC1 Q13547 3/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 2/20 0.33
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDK2 Q15119 1/20 0.32
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL9951251 1.00 HDAC2 (0.40) HDAC2HDAC1ALDH1A1KDM4EHPGD
SCHEMBL9951152 0.80 CYP3A4 (0.33) HDAC2HDAC1ALDH1A1KDM4EHPGD
SCHEMBL9951148 0.72 HDAC1 (0.32) HDAC2HDAC1ALDH1A1KDM4EHPGD
SCHEMBL10188806 0.72 PTGS2 (0.35) KDM4EGAAPTGS2
SCHEMBL9950483 0.71 MAPT (0.38) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL2118681 0.70 HCRTR1 (0.38)
SCHEMBL2118678 0.70 HCRTR1 (0.38)
SCHEMBL2118674 0.70 HCRTR1 (0.38)
SCHEMBL9951554 0.68 HTR2A (0.35) MAPTPTGS2
SCHEMBL9951558 0.68 HTR2A (0.35) MAPTPTGS2

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 HDAC2 737/4885HDAC1 841/4885ALDH1A1 2050/4885

“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.