SCHEMBL14930795

SCHEMBL14930795

CCC[C@@H](O)[C@@H](CC)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
HKDC1 Q2TB90 1/20 0.50
AOC3 Q16853 3/20 0.49
SLC6A2 P23975 5/20 0.42
SLC6A3 Q01959 5/20 0.42
CHRM2 P08172 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
ALOX15 P16050 2/20 0.42
CYP2C19 P33261 2/20 0.42
ADRA1A P35348 2/20 0.42
ESR1 P03372 1/20 0.42
CYP1A2 P05177 1/20 0.42
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
AR P10275 1/20 0.42
MAPT P10636 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42

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
SCHEMBL873376 0.85 LMNA (0.58) LMNAHKDC1AOC3SLC6A2SLC6A3
SCHEMBL10064961 0.85 SLC6A2 (0.56) LMNAHKDC1AOC3SLC6A2SLC6A3
SCHEMBL28973920 0.84 LMNA (0.52) LMNAHKDC1AOC3SLC6A2SLC6A3
SCHEMBL23050196 0.82 LMNA (0.54) LMNAHKDC1AOC3SLC6A2SLC6A3
SCHEMBL9843786 0.81 HKDC1 (0.55) LMNAHKDC1AOC3SLC6A2SLC6A3
SCHEMBL24990899 0.79 AOC3 (0.61) LMNAAOC3SLC6A2SLC6A3CHRM2
SCHEMBL18759601 0.79 LMNA (0.56) LMNAAOC3SLC6A2SLC6A4KDM4E
SCHEMBL8157573 0.78 AOC3 (0.48) LMNAHKDC1AOC3SLC6A2SLC6A3
SCHEMBL370232 0.78 NPC1 (0.42) LMNAAOC3CYP3A4MAPTTDP1
SCHEMBL370231 0.78 NPC1 (0.42) LMNAAOC3CYP3A4MAPTTDP1

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-20130116445-A1 TRIAZOLIUM CARBENE CATALYSTS AND PROCESSES FOR ASYMMETRIC CARBON-CARBON BOND FORMATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-05-09 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-20130116445-A1 TRIAZOLIUM CARBENE CATALYSTS AND PROCESSES FOR ASYMMETRIC CARBON-CARBON BOND FORMATION TIMCC, CYCS, CTRC LMNA 2114/4885HKDC1 3363/4885AOC3 703/4885

“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.