SCHEMBL17935501

SCHEMBL17935501

CCCCOc1ccc(OCCOC2CCOCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MAPK1 P28482 2/20 0.53
KCNH2 Q12809 2/20 0.53
HRH3 Q9Y5N1 2/20 0.53
CYP1A2 P05177 2/20 0.53
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
HTR2A P28223 1/20 0.53
SCN1A P35498 1/20 0.53
HTR2B P41595 1/20 0.53
SCN2A Q99250 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
SCN3A Q9NY46 1/20 0.53
LMNA P02545 3/20 0.51
USP2 O75604 2/20 0.51
LTA4H P09960 2/20 0.42
KMT2A Q03164 2/20 0.42
THRB P10828 2/20 0.42
MAPT P10636 1/20 0.42
CYP2D6 P10635 2/20 0.41

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
SCHEMBL17931455 0.87 CYP1A2 (0.46) ALDH1A1MAPK1KCNH2HRH3CYP1A2
SCHEMBL17888517 0.84 ADRB2 (0.42) KCNH2HRH3LTA4HTSHRNR5A1
SCHEMBL17888584 0.84 NFE2L2 (0.47) ALDH1A1MAPK1KCNH2HRH3CYP1A2
SCHEMBL20444308 0.83 KMT2A (0.46) ALDH1A1MAPK1KCNH2HRH3LMNA
SCHEMBL25777088 0.81 SMN1; SMN2 (0.41) ALDH1A1MAPK1KCNH2HRH3CYP1A2
SCHEMBL29953257 0.80 AOC2 (0.37) ALDH1A1MAPK1KCNH2HRH3CYP1A2
SCHEMBL17888668 0.79 FOXM1 (0.49) CYP1A2LMNALTA4HKMT2AMAPT
SCHEMBL13107098 0.79 ALDH1A1 (0.54) ALDH1A1MAPK1KCNH2HRH3CYP1A2
SCHEMBL17888522 0.78 L3MBTL1 (0.54) ALDH1A1KCNH2HRH3SIGMAR1LMNA
SCHEMBL578658 0.78 CA1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 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-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF SOST, BMP2, ALPI ALDH1A1 2733/4885MAPK1 352/4885KCNH2 4380/4885

“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.