SCHEMBL160009

SCHEMBL160009

CC[C@H](C)Cc1cccs1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.50
RAB9A P51151 6/20 0.47
LMNA P02545 5/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 3/20 0.42
TAAR1 Q96RJ0 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 1/20 0.40
CTSC P53634 1/20 0.40

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
SCHEMBL160010 1.00 CYP2C19 (0.50) CYP2C19RAB9ALMNANPC1SMN1; SMN2
SCHEMBL21116925 0.84 CYP2C19 (0.47) CYP2C19RAB9ALMNANPC1SMN1; SMN2
SCHEMBL30532987 0.82 CYP2C19 (0.42) CYP2C19RAB9ALMNANPC1SMN1; SMN2
SCHEMBL8555164 0.82 CYP2C19 (0.48) CYP2C19RAB9ALMNANPC1SMN1; SMN2
SCHEMBL10496977 0.81 CYP2C19 (0.44) CYP2C19RAB9ALMNANPC1SMN1; SMN2
SCHEMBL19822079 0.81 CYP2C19 (0.52) CYP2C19RAB9ALMNASMN1; SMN2HPGD
SCHEMBL91135 0.80
Hydrochloric Acid SCHEMBL6138354 0.80 RAB9A (0.49) CYP2C19RAB9ALMNANPC1SMN1; SMN2
SCHEMBL19185640 0.80 TAAR1 (0.48) CYP2C19RAB9ASMN1; SMN2GAAHTT
SCHEMBL25306777 0.79 CYP2C19 (0.50) CYP2C19RAB9ALMNANPC1SMN1; SMN2

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-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 CYP2C19 218/4885RAB9A 3260/4885LMNA 3641/4885

“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.