SCHEMBL1784913

SCHEMBL1784913

COC(=O)C1(Cc2ccc(F)cc2)CCC2(CC2)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
S1PR4 O95977 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
S1PR1 P21453 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 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
SCHEMBL11955078 0.71 HRH3 (0.46) TSHRLMNAHTTMAPK1SMN1; SMN2
SCHEMBL5810393 0.70 OPRM1 (0.40) TSHRLMNAHTTMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL5810389 0.69 OPRM1 (0.39) TSHRLMNAHTTMAPK1SMN1; SMN2
SCHEMBL9125097 0.69 TACR1 (0.38) TSHRLMNAHTTMAPK1SMN1; SMN2
SCHEMBL9168218 0.69 TACR1 (0.44) TSHRLMNAHTTMAPK1SMN1; SMN2
SCHEMBL28220787 0.68 SMN1; SMN2 (0.46) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL11272047 0.68 NPSR1 (0.43) TSHRLMNAHTTMAPK1SMN1; SMN2
SCHEMBL10062555 0.67 ALDH1A1 (0.47) TSHRSMN1; SMN2KDM4EMAPTCYP1A2
SCHEMBL11289688 0.67 FPR2 (0.36) TSHRSMN1; SMN2MAPTNPC1HPGD
SCHEMBL17483916 0.67 TACR1 (0.40) TSHRLMNAHTTMAPK1SMN1; SMN2

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-20110124877-A1 5-BENZYL-4-AZOLYLMETHYL-4-SPIRO[2.4]HEPTANOL DERIVATIVES, METHODS FOR PRODUCING THE SAME, AND AGRO-HORTICULTURAL AGENTS AND INDUSTRIAL MATERIAL PROTECTING AGENTS THEREOF KUREHA CORPORATION (JP) 2011-05-26 US disclosed
EP-2315752-A1 5-BENZYL-4-AZOLYLMETHYL-4-SPIRO[2.4]HEPTANOL DERIVATIVES, METHODS FOR PRODUCING THE SAME, AND AGRO-HORTICULTURAL AGENTS AND INDUSTRIAL MATERIAL PROTECTING AGENTS THEREOF Kureha Corporation (JP) 2011-05-04 EP disclosed
WO-2010023862-A1 5-BENZYL-4-AZOLYLMETHYL-4-SPIRO[2.4]HEPTANOL DERIVATIVES, METHODS FOR PRODUCING THE SAME, AND AGRO-HORTICULTURAL AGENTS AND INDUSTRIAL MATERIAL PROTECTING AGENTS THEREOF KUREHA CORPORATION (JP) 2010-03-04 WO 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-20110124877-A1 5-BENZYL-4-AZOLYLMETHYL-4-SPIRO[2.4]HEPTANOL DERIVATIVES, METHODS FOR PRODUCING THE SAME, AND AGRO-HORTICULTURAL AGENTS AND INDUSTRIAL MATERIAL PROTECTING AGENTS THEREOF CYP8B1, CBR3, CBR1 TSHR 3518/4885LMNA 1208/4885HTT 873/4885

“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.