SCHEMBL9946121

SCHEMBL9946121

CC1(C)OC(c2ccccc2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP2C19 P33261 1/20 0.46
KDM1A O60341 4/20 0.41
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
MAPK1 P28482 2/20 0.38
CA2 P00918 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.37
CHRNA7 P36544 1/20 0.36
KCNA4 P22459 1/20 0.35
KCNA1 Q09470 1/20 0.35
KCNAB1 Q14722 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 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
SCHEMBL17863581 0.87 MAPK1 (0.37) MEN1KMT2ACYP2C19MAPK1
SCHEMBL18134367 0.87 LPL (0.46) MEN1KMT2ACYP2C19KDM1AMAOB
SCHEMBL18371205 0.82 SLC5A2 (0.40) MEN1KMT2ACYP2C19KDM1AMAOA
SCHEMBL18134371 0.80 LPL (0.41) MEN1KMT2AMAOA
SCHEMBL28475250 0.79 L3MBTL1 (0.46) MEN1KMT2AMAPK1LMNAPOLB
SCHEMBL18371213 0.79 LPL (0.40) MEN1KMT2AMAOA
SCHEMBL18371202 0.79 SLC5A2 (0.38) CYP2C19KDM1AMAOACYP3A4
SCHEMBL18371209 0.79 LPL (0.40) MEN1KMT2AMAOA
SCHEMBL9946119 0.78 ACHE (0.38) MEN1KMT2AMAPK1LMNAALDH1A1
SCHEMBL24452337 0.78 LPL (0.39) MEN1KMT2ACYP2C19KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105503-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-04-19 US disclosed
US-20180105503-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-04-19 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 MEN1 4590/4885KMT2A 4328/4885CYP2C19 3767/4885
US-20180105503-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MEN1 791/4885KMT2A 3109/4885CYP2C19 1423/4885

“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.