SCHEMBL10076987

SCHEMBL10076987

CC(C)/C=C/C(F)(F)COc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
TBXA2R P21731 1/20 0.39
MAOA P21397 1/20 0.38
PTGS1 P23219 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
KCNA3 P22001 1/20 0.35
LTA4H P09960 1/20 0.34
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
CYP2D6 P10635 2/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
NPC1 O15118 1/20 0.33
MTOR P42345 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 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
SCHEMBL19541025 0.83 LMNA (0.38) LMNAMAOAPTGS1KCNA3LTA4H
SCHEMBL14968477 0.81 HDAC1 (0.39) LMNATBXA2RMAOAHDAC1HDAC2
SCHEMBL16613903 0.77 HDAC1 (0.42) LMNATBXA2RHDAC1HDAC2KCNA3
SCHEMBL16613936 0.77 ALDH1A1 (0.42) MAOAHDAC1HDAC2KCNA3LTA4H
Potassium Ion SCHEMBL17421828 0.73 HDAC1 (0.36) TBXA2RMAOAHDAC1HDAC2KCNA3
SCHEMBL20749935 0.73 HDAC1 (0.40) TBXA2RMAOAHDAC1HDAC2KCNA3
SCHEMBL17429872 0.71 HDAC1 (0.38) TBXA2RMAOAHDAC1HDAC2KCNA3
SCHEMBL24023464 0.70 LMNA (0.44) LMNAMAOAPTGS1HDAC1HDAC2
SCHEMBL19656358 0.70 LMNA (0.44) LMNAMAOAPTGS1HDAC1HDAC2
SCHEMBL12956629 0.70 KCNA3 (0.46) LMNAHDAC1HDAC2KCNA3LTA4H

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
US-20130131106-A1 BIFUNCTIONAL RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE INSPIRE PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
WO-2012012282-A1 BIFUNCTIONAL RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE INSPIRE PHARMACEUTICALS, INC. (US) 2012-01-26 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-20130131106-A1 BIFUNCTIONAL RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK2, ROCK1, RHOA LMNA 967/4885TBXA2R 1445/4885MAOA 1586/4885

“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.