SCHEMBL16639671

SCHEMBL16639671

COc1ccc(OC(=S)Oc2ccc(C)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.65
LMNA P02545 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
GAA P10253 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
RELA Q04206 1/20 0.52
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL5655838 0.91 LMNA (0.56) ACHELMNANPC1RAB9AGAA
SCHEMBL2463820 0.91 CA1 (0.58) ACHENPC1RAB9AGAAALDH1A1
SCHEMBL14823291 0.83 LMNA (0.48) ACHELMNANPC1RAB9AGAA
SCHEMBL2469364 0.83 CA4 (0.61) NPC1RAB9AGAAALDH1A1SMN1; SMN2
Methyl Alcohol SCHEMBL20136156 0.81 ACHE (0.88) ACHELMNANPC1RAB9AGAA
SCHEMBL12464 0.81
SCHEMBL13925529 0.81
SCHEMBL19182839 0.81 ACHE (1.00) ACHELMNANPC1RAB9AGAA
SCHEMBL28067219 0.79 ACHE (0.83) ACHELMNANPC1RAB9AGAA
SCHEMBL8392489 0.78 ACHE (0.65) ACHENPC1RAB9AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278905-B2 Production method for compound comprising amino group and/or hydroxyl group KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-03-08 US disclosed
US-20150105559-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2015-04-16 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-20150105559-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP CA7, DAO, CA4 ACHE 392/4885LMNA 2891/4885NPC1 2527/4885

“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.