SCHEMBL159474

SCHEMBL159474

CCCC(CCC)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
ALOX5 P09917 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KEAP1 Q14145 1/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 3/20 0.34
MAPT P10636 1/20 0.34
MLNR O43193 1/20 0.34
CACNA1F O60840 1/20 0.34
CYP1A2 P05177 1/20 0.34
ADRB1 P08588 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL16334692 0.92 GLA (0.39) TAS1R3TAS1R1ALOX5CES2CES1
SCHEMBL439568 0.92 TAS1R3 (0.36) TAS1R3TAS1R1ALOX5CES2CES1
SCHEMBL20387064 0.91 GLA (0.35) TAS1R3TAS1R1ALOX5KMT2ANPC1
SCHEMBL28061556 0.89 HDAC1 (0.37) TAS1R3TAS1R1ALOX5GAAHTT
SCHEMBL25440569 0.84 HDAC1 (0.39) ALOX5KMT2AMAPTCYP1A2GAA
SCHEMBL20091321 0.84 HDAC1 (0.39) ALOX5KMT2AMAPTCYP1A2GAA
SCHEMBL5554713 0.84 HDAC1 (0.39) ALOX5KMT2AMAPTCYP1A2GAA
SCHEMBL20689617 0.84 HDAC1 (0.39) ALOX5KMT2AMAPTCYP1A2GAA
SCHEMBL20372967 0.84 GLA (0.39) ALOX5HTT
SCHEMBL5903025 0.84 HDAC1 (0.39) ALOX5KMT2AMAPTCYP1A2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3725787-B1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS REGENACY PHARMACEUTICALS INC (US) 2023-11-29 EP disclosed
EP-3725787-A1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS Regenacy Pharmaceuticals, Inc. (US) 2020-10-21 EP disclosed
EP-2612376-B1 SEMICONDUCTING COMPOUNDS AND RELATED COMPOSITIONS AND DEVICES FLEXTERRA INC (US) 2018-11-21 EP disclosed
US-8598575-B2 Semiconducting compounds and related compositions and devices POLYERA CORPORATION (US) 2013-12-03 US disclosed
EP-2612376-A2 SEMICONDUCTING COMPOUNDS AND RELATED COMPOSITIONS AND DEVICES Polyera Corporation (US) 2013-07-10 EP disclosed
US-20130168659-A1 Semiconducting Compounds and Related Compositions and Devices POLYERA CORPORATION (US) 2013-07-04 US disclosed
WO-2012030662-A2 SEMICONDUCTING COMPOUNDS AND RELATED COMPOSITIONS AND DEVICES POLYERA CORPORATION (US) 2012-03-08 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-20130168659-A1 Semiconducting Compounds and Related Compositions and Devices NES, TST, SLC19A2 TAS1R3 1751/4885TAS1R1 2091/4885ALOX5 2004/4885

“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.