SCHEMBL14227643

SCHEMBL14227643

CC(C)(C)c1ccc(I)s1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
YEATS4 O95619 1/20 0.36
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL25900797 0.80 LMNA (0.33) MAPK1KMT2AYEATS4LMNATSHR
SCHEMBL47581 0.80 MAPK1 (0.45) MAPK1KMT2AYEATS4NPC1RAB9A
SCHEMBL21775973 0.74 MAPK1 (0.38) MAPK1KMT2AYEATS4NPC1RAB9A
SCHEMBL21105449 0.74 DAO (0.45)
SCHEMBL21720118 0.73 ALDH1A1 (0.31)
SCHEMBL12737778 0.72 MAPK1 (0.41) MAPK1KMT2AYEATS4NPC1RAB9A
SCHEMBL25963953 0.71 ALDH1A1 (0.33)
SCHEMBL14379745 0.70 MAPK1 (0.39) MAPK1KMT2AYEATS4NPC1RAB9A
SCHEMBL21841894 0.70 MAPK1 (0.39) MAPK1KMT2AYEATS4NPC1RAB9A
SCHEMBL498360 0.70 MAPK1 (0.39) MAPK1KMT2AYEATS4NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016086134-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2016-06-02 WO disclosed
WO-2016086169-A1 BILE ACID ANALOGS AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2016-06-02 WO disclosed
US-9012656-B2 Oligothiophene derivate as molecular probes CELLUMINOVA AB (SE) 2015-04-21 US disclosed
US-20120315646-A1 OLIGOTHIOPHENE DERIVATE AS MOLECULAR PROBES CELLUMINOVA AB (SE) 2012-12-13 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-20120315646-A1 OLIGOTHIOPHENE DERIVATE AS MOLECULAR PROBES NMT1, DNTT, NOTCH4 MAPK1 4366/4885KMT2A 1291/4885YEATS4 178/4885

“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.