SCHEMBL19256975

SCHEMBL19256975

COOC(=O)c1ccc(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 1/20 0.43
TNF P01375 1/20 0.43
PKM P14618 1/20 0.43
CDK5 Q00535 1/20 0.43
KLF5 Q13887 1/20 0.43
CDK5R1 Q15078 1/20 0.43
NOD1 Q9Y239 1/20 0.43
NFE2L2 Q16236 1/20 0.42
NR4A2 P43354 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.41
HSD11B1 P28845 1/20 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
SCHEMBL124710 0.90 KMT2A (0.49) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL158111 0.84 TDP1 (0.57) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL23231570 0.83 CA12 (0.50) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL7632047 0.83 KMT2A (0.44) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL7635274 0.83 KMT2A (0.44) TAS1R3TAS1R1TAS1R2KMT2AMEN1
Hydrochloric Acid SCHEMBL30409057 0.82 TDP1 (0.55) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL29462647 0.82 KMT2A (0.49) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL6113261 0.82 KMT2A (0.49) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL7634150 0.81 SMN1; SMN2 (0.44) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL1107151 0.81 MEN1 (0.60) TAS1R3TAS1R1TAS1R2KMT2AMEN1

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-10654844-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2020-05-19 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 (2 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 TAS1R3 4585/4885TAS1R1 4558/4885TAS1R2 4237/4885
US-10654844-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 TAS1R3 4585/4885TAS1R1 4558/4885TAS1R2 4237/4885

“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.