SCHEMBL19256867

SCHEMBL19256867

CCC(C)(C)c1ccc2c(O)nccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
LMNA P02545 1/20 0.37
CASP3 P42574 1/20 0.37
ATM Q13315 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
PTPN1 P18031 1/20 0.33
MAPT P10636 3/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 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
SCHEMBL9880928 0.85 ALDH1A1 (0.42) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL14035943 0.81 ROCK1 (0.53) NPC1RAB9AMAPTROCK1
SCHEMBL24147138 0.81 TDP1 (0.42) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL20442007 0.79 MAPK1 (0.36) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL12727818 0.78 NPC1 (0.36) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL19256865 0.78 TRPA1 (0.39) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL20441712 0.76 TDP1 (0.32) MAPK1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL10224681 0.75 PLAU (0.47) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL8352162 0.75 NOS3 (0.47) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL19010378 0.72 NPC1 (0.50) MAPK1SMN1; SMN2NPC1RAB9ALMNA

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-9951059-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2018-04-24 US disclosed
US-20170233381-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2017-08-17 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-20170233381-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 MAPK1 221/4885SMN1; SMN2 2657/4885NPC1 522/4885

“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.