SCHEMBL4969732

SCHEMBL4969732

CCc1cccc2c1OC(C(C)C)CN2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.34
F9 P00740 1/20 0.34
F10 P00742 1/20 0.34
CFD P00746 1/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
PLAT P00750 1/20 0.34
F11 P03951 1/20 0.34
KLKB1 P03952 1/20 0.34
F7 P08709 1/20 0.34
MTNR1A P48039 8/20 0.33
MTNR1B P49286 8/20 0.33
HPGD P15428 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32

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
SCHEMBL4969465 0.80 BRD4 (0.43) CASR
SCHEMBL4969109 0.79 CASR (0.31) MTNR1AMTNR1BCASR
SCHEMBL4895658 0.79 CASR (0.36) HPGDCASRGABRA1GABRB2TAAR1
SCHEMBL4972194 0.77 CA2 (0.31) CASR
SCHEMBL4967577 0.73 ADRA2A (0.35) MTNR1AMTNR1BADRA2AADRA2BADRA2C
SCHEMBL11430909 0.71 NISCH (0.45) HPGDCASRNPSR1
SCHEMBL4971589 0.71 LMNA (0.38) MTNR1AMTNR1BHPGD
SCHEMBL9911042 0.67 ADORA2A (0.43) MTNR1AGABRA1GABRB2TAAR1
SCHEMBL4968657 0.65 CASR (0.42) MTNR1AMTNR1BHPGDCASRGABRA1
SCHEMBL3207634 0.64 BRD4 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 F2 4243/4885F9 3381/4885F10 4290/4885

“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.