SCHEMBL20713611

SCHEMBL20713611

Cc1ccc2cc(C(C)C)sc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
CYP2A6 P11509 4/20 0.44
CYP1A2 P05177 4/20 0.44
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
LMNA P02545 2/20 0.35
TRPA1 O75762 1/20 0.35

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
SCHEMBL9826619 0.85 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20887652 0.84 CYP2A6 (0.50) CYP2A6CYP1A2TDP1MAPTRAB9A
SCHEMBL14260569 0.80 RAB9A (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL24428789 0.78 ALOX5 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL17368388 0.78 ESR1 (0.50) CYP1A2ESR1ESR2LMNAALOX5
SCHEMBL2706171 0.78 ALOX5 (0.33) CYP1A2RAB9ALMNAALOX5GAA
SCHEMBL14260571 0.78 GABRA1 (0.40) MAPTESR1LMNAHTR2BALOX5
SCHEMBL22277224 0.76 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18499309 0.76 ALOX5 (0.32) CYP1A2MAPTRAB9ALMNAALOX5
SCHEMBL21730476 0.76 AKR1C3 (0.39) CYP1A2LMNASLC6A2ALOX5GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3421465-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2022-10-26 EP disclosed
EP-3421464-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2021-11-24 EP disclosed
US-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-09 US disclosed
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2020-07-30 US disclosed
WO-2019028362-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2019-02-07 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 (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-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof KLKB1, KLK1, KLK5 HDAC3 3430/4885HDAC4 2529/4885HDAC1 1974/4885
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 HDAC3 3430/4885HDAC4 2529/4885HDAC1 1974/4885

“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.