SCHEMBL3783374

SCHEMBL3783374

CCC(C)OC(=O)Cc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
CYP1A2 P05177 3/20 0.44
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.43
CYP19A1 P11511 1/20 0.43
NPC1 O15118 1/20 0.43
PTPRA P18433 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
MAPT P10636 2/20 0.41
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL355182 0.86 TSHR (0.57) POLBCYP1A2TSHRALDH1A1RAB9A
SCHEMBL10576835 0.85 TSHR (0.54) POLBCYP1A2TSHRALDH1A1RAB9A
SCHEMBL10572891 0.82 TSHR (0.47) POLBCYP1A2TSHRALDH1A1CYP19A1
SCHEMBL10576911 0.81 KCNA5 (0.49) CYP1A2TSHRALDH1A1RAB9ANPC1
SCHEMBL3912124 0.79 ALDH1A1 (0.40) POLBCYP1A2TSHRALDH1A1RAB9A
SCHEMBL3916139 0.79 CYP1A2 (0.40) POLBCYP1A2TSHRALDH1A1RAB9A
Methyl Alcohol SCHEMBL3396777 0.79 ALDH1A1 (0.53) POLBCYP1A2TSHRALDH1A1RAB9A
SCHEMBL22891107 0.78 POLB (0.60) POLBCYP1A2TSHRALDH1A1RAB9A
SCHEMBL3909811 0.78 CYP1A2 (0.41) POLBCYP1A2TSHRALDH1A1RAB9A
SCHEMBL3912979 0.78 POLB (0.39) POLBCYP1A2TSHRALDH1A1RAB9A

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-7858376-B2 Ninhydrin and ionic liquid reagent mixture and method for the visualization of amino acids and peptides MERCK PATENT GESELLSCHAFT (DE) 2010-12-28 US disclosed
US-20090258427-A1 Method and Reagent Mixture for the Visualization of Amino Acids and Peptides MERCK PATENT GMBH (DE) 2009-10-15 US disclosed
US-4877795-A 4H-quinolizin-4-one compounds useful for the treatment of allergic bronchial asthma, allergic rhinitis atropic dermatitis and the like KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-10-31 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-20090258427-A1 Method and Reagent Mixture for the Visualization of Amino Acids and Peptides VIP, NEFM, NGLY1 POLB 4045/4885CYP1A2 4877/4885TSHR 3002/4885

“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.