SCHEMBL9929330

SCHEMBL9929330

C1CCC(CC2CCC(CC3CCC(CC4CCCCC4)CC3)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.41
CYP1A2 P05177 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
SIGMAR1 Q99720 2/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
ACHE P22303 1/20 0.35
EPHX1 P07099 2/20 0.33

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
SCHEMBL28917054 1.00 CHRM5 (0.41) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL2323792 1.00 CHRM5 (0.41) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL1524895 1.00 CHRM5 (0.41) CHRM5CYP1A2ADRA2CCHRM2CHRM4
Ammonia Solution, Strong SCHEMBL9555998 0.96 NOS1 (0.39) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL23070439 0.96 CHRM5 (0.43) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL187659 0.96 CHRM5 (0.43) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL11006113 0.96 CHRM5 (0.43) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL2708909 0.96
SCHEMBL3224864 0.96 CHRM5 (0.43) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL3222970 0.96 CHRM5 (0.43) CHRM5CYP1A2ADRA2CCHRM2CHRM4

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
EP-2470581-B1 AMINE-EPOXY ADDUCTS AND THEIR USE FOR PREPARING POLYUREA AND POLYUREA-POLYURETHANE COATINGS POLINVENT KFT (HU) 2014-08-13 EP disclosed
EP-2470581-A1 AMINE-EPOXY ADDUCTS AND THEIR USE FOR PREPARING POLYUREA AND POLYUREA-POLYURETHANE COATINGS Polinvent KFT. (HU) 2012-07-04 EP disclosed
US-20120157620-A1 AMINE-EPOXY ADDUCTS AND THEIR USE FOR PREPARING POLYUREA AND POLYUREA-POLYURETHANE COATINGS POLINVENT KFT. (HU) 2012-06-21 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-20120157620-A1 AMINE-EPOXY ADDUCTS AND THEIR USE FOR PREPARING POLYUREA AND POLYUREA-POLYURETHANE COATINGS PCNA, PNMT, CHKB CHRM5 892/4885CYP1A2 468/4885ADRA2C 213/4885

“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.