SCHEMBL20834872

SCHEMBL20834872

CCc1cc(C)ccc1C#Cc1cc(F)c(SC#N)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.34
FFAR4 Q5NUL3 5/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.33
TSPO P30536 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL20835004 0.85 FFAR1 (0.35) FFAR1FFAR4ALDH1A1MAPTPOLB
SCHEMBL20834702 0.84 FFAR1 (0.35) FFAR1FFAR4ALDH1A1MAPTPOLB
SCHEMBL20835006 0.84 FFAR1 (0.32) FFAR1FFAR4ALDH1A1
SCHEMBL23309982 0.84 FFAR1 (0.34) FFAR1FFAR4ALDH1A1MAPTPOLB
SCHEMBL26187789 0.83 HSD17B1 (0.39) FFAR1FFAR4ALDH1A1MAPTPOLB
SCHEMBL23309986 0.82 ALDH1A1 (0.31) ALDH1A1MAPTPOLB
SCHEMBL20834892 0.82 FFAR1 (0.34) FFAR1FFAR4ALDH1A1MAPTPOLB
SCHEMBL22622787 0.81 ACACB (0.39) FFAR1FFAR4ALDH1A1MAPTPOLB
SCHEMBL24940701 0.80 FFAR1 (0.31) FFAR1FFAR4
SCHEMBL20834898 0.80 FFAR1 (0.36) FFAR1FFAR4TSPODRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-11739265-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-08-29 US disclosed
US-20230025385-A1 FLUORINATED AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2023-01-26 US disclosed
US-11306251-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2022-04-19 US disclosed
US-11268026-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2022-03-08 US disclosed
EP-3681976-B1 ISOTHIOCYANATO TOLANE DERIVATIVES MERCK PATENT GMBH (DE) 2021-05-26 EP disclosed
US-20210122977-A1 ISOTHIOCYANATO TOLANE DERIVATIVES MERCK PATENT GMBH (DE) 2021-04-29 US disclosed
US-20200347301-A1 Isothiocyanato-tolanes MERCK PATENT GMBH (DE) 2020-11-05 US disclosed
US-20190352564-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-11-21 US disclosed
US-20190292460-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-09-26 US disclosed
US-20190292458-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-09-26 US disclosed
WO-2019052972-A1 ISOTHIOCYANATO TOLANE DERIVATIVES MERCK PATENT GMBH (DE) 2019-03-21 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 (3 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-20240072425-A1 AROMATIC ISOTHIOCYANATES TRPA1, TRPC1, CRY1 FFAR1 4239/4885FFAR4 4575/4885ALDH1A1 1864/4885
US-20230025385-A1 FLUORINATED AROMATIC COMPOUNDS TRPA1, FOXM1, AFF1 FFAR1 3189/4885FFAR4 3852/4885ALDH1A1 1136/4885
US-11739265-B2 Aromatic isothiocyanates TRPA1, CRY1, FOXM1 FFAR1 4387/4885FFAR4 4573/4885ALDH1A1 1554/4885

“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.