SCHEMBL14982011

SCHEMBL14982011

Cc1cc2ccccc2c2c1CNCc1ccc3ccccc3c1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
CYP1A2 P05177 4/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
CYP2A6 P11509 3/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 5/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ACHE P22303 1/20 0.35
SLC6A2 P23975 1/20 0.35
AHR P35869 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP1B1 Q16678 1/20 0.35
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL4298702 0.82 HSD17B10 (0.46) ALDH1A1CYP1A2HSD17B10CYP2A6TSHR
SCHEMBL2614669 0.77 ALDH1A1 (0.38) ALDH1A1CYP1A2HSD17B10HPGDCYP2A6
SCHEMBL1938502 0.73 LMNA (0.46) ALDH1A1HSD17B10CYP2A6TSHRHIF1A
SCHEMBL14847735 0.72 CA2 (0.36) HSP90AA1
SCHEMBL11337767 0.71 CYP1A2 (0.38) ALDH1A1CYP1A2HSD17B10HPGDCYP2A6
SCHEMBL18019601 0.70 CES1 (0.34) LMNA
SCHEMBL14498201 0.68 CYP1A2 (0.41) ALDH1A1CYP1A2HSD17B10HPGDCYP2A6
SCHEMBL19033400 0.68 ALDH1A1 (0.31) ALDH1A1HSD17B10CYP2A6TSHRMAPT
SCHEMBL17348455 0.67 MAPT (0.42) ALDH1A1CYP1A2HSD17B10HPGDCYP2A6
SCHEMBL23074338 0.67 CYP1A2 (0.37) ALDH1A1CYP1A2HSD17B10HPGDCYP2A6

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-8729294-B2 Process for producing optically active 3-substituted-3-formyl-2-hydroxypropanoic acid compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-05-20 US disclosed
US-20130137880-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-SUBSTITUTED-3-FORMYL-2-HYDROXYPROPANOIC ACID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-30 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-20130137880-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-SUBSTITUTED-3-FORMYL-2-HYDROXYPROPANOIC ACID COMPOUND HPD, GRHPR, HAAO ALDH1A1 18/4885CYP1A2 225/4885HSD17B10 164/4885

“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.