SCHEMBL19614367

SCHEMBL19614367

NC(CCO)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.48
KIF11 P52732 4/20 0.41
TAAR1 Q96RJ0 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HIF1A Q16665 1/20 0.35

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
SCHEMBL28124931 0.83 KCNN4 (0.46) KCNN4KIF11TAAR1TDP1CYP1A2
SCHEMBL1225190 0.83 KCNN4 (0.46) KCNN4KIF11TAAR1TDP1CYP1A2
Hydrochloric Acid SCHEMBL2810585 0.81 KCNN4 (0.44) KCNN4KIF11TAAR1TDP1CYP1A2
SCHEMBL4750696 0.81 KCNN4 (0.44) KCNN4KIF11TAAR1TDP1CYP1A2
SCHEMBL27813866 0.80 KCNN4 (0.48) KCNN4KIF11TAAR1CYP2D6TSHR
SCHEMBL27798200 0.79 TAAR1 (0.45) KCNN4KIF11TAAR1CYP1A2CYP2C19
SCHEMBL1455173 0.79 TAAR1 (0.45) KCNN4KIF11TAAR1CYP1A2CYP2C19
SCHEMBL453393 0.79 KCNN4 (0.52) KCNN4KIF11TAAR1CYP1A2CYP2C9
Ethylene Glycol SCHEMBL9403955 0.79 KCNN4 (0.52) KCNN4KIF11TAAR1TDP1CYP1A2
SCHEMBL1524876 0.77 KIF11 (0.54) KCNN4KIF11TAAR1CYP2C9CYP2C19

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-9920342-B2 Process for the preparation of Droxidopa DIVI'S LABORATORIES LIMITED 2018-03-20 US disclosed
US-20170335357-A1 PROCESS FOR THE PREPARATION OF DROXIDOPA DIVI'S LABORATORIES LIMITED (IN) 2017-11-23 US disclosed
CN-1182076-A Reclamation of bisphenol tars as feedstock in synthesis of aminophenylhydroxyphenylalkanes GEN ELECTRIC (US) 1998-05-20 CN 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-20170335357-A1 PROCESS FOR THE PREPARATION OF DROXIDOPA DAO, DDO, DNPEP KCNN4 2297/4885KIF11 3711/4885TAAR1 2304/4885

“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.