SCHEMBL21709883

SCHEMBL21709883

COc1ccc(C2(c3ccccc3SC)OCCCO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
GAA P10253 2/20 0.35
MAPK1 P28482 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL21709947 0.94 KMT2A (0.38) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL16543025 0.79 CA1 (0.44) POLBOPRM1OPRL1MAPK1CYP3A4
SCHEMBL18287951 0.76 CA1 (0.44) POLBOPRM1OPRL1MAPK1CYP3A4
SCHEMBL21709884 0.75 CYP1A1 (0.43) ALDH1A1MEN1KMT2AMAPK1CYP2C19
SCHEMBL21709885 0.75 OPRM1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL21709952 0.72 CYP1A1 (0.50) ALDH1A1GAASLC6A4
SCHEMBL17024451 0.72 CA1 (0.48) KMT2ANPC1RAB9APOLBOPRM1
SCHEMBL17024450 0.70 CA12 (0.43) ALDH1A1NPC1RAB9APOLBMAPK1
SCHEMBL21709948 0.69 CYP1A2 (0.41) ALDH1A1KMT2ASIGMAR1CYP3A4CYP2C19
SCHEMBL21709890 0.69 MTNR1A (0.38) ALDH1A1MEN1KMT2ANPC1RAB9A

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-11142495-B2 Composition and method for manufacturing device using same TOYO GOSEI CO., LTD. (JP) 2021-10-12 US disclosed
US-20200048191-A1 COMPOSITION AND METHOD FOR MANUFACTURING DEVICE USING SAME TOYO GOSEI CO., LTD. (JP) 2020-02-13 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 (2 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-20200048191-A1 COMPOSITION AND METHOD FOR MANUFACTURING DEVICE USING SAME LBR, LMTK2, MMS19 ALDH1A1 4785/4885MEN1 3312/4885KMT2A 3015/4885
US-11142495-B2 Composition and method for manufacturing device using same LBR, LMTK2, MMS19 ALDH1A1 4785/4885MEN1 3312/4885KMT2A 3015/4885

“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.