SCHEMBL13633794

SCHEMBL13633794

CC1=C(C)OC(c2ccccc2)N1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 2/20 0.34
POLB P06746 1/20 0.33
EPHX1 P07099 1/20 0.33
CA2 P00918 1/20 0.33
IDO1 P14902 1/20 0.33
KDM1A O60341 2/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GAA P10253 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
SCHEMBL7672741 0.70 MEN1 (0.50) ALDH1A1HPGDMEN1KMT2AUSP2
SCHEMBL22417632 0.67 GAA (0.46) ALDH1A1MEN1KMT2AMAOBKDM4E
SCHEMBL30209785 0.67 MEN1 (0.49) ALDH1A1MEN1KMT2AUSP2POLB
SCHEMBL541947 0.67 MEN1 (0.49) ALDH1A1MEN1KMT2AUSP2POLB
SCHEMBL18324078 0.65 TNKS2 (0.52) ALDH1A1HPGDMEN1KMT2AUSP2
SCHEMBL22062906 0.65 IDO1 (0.35) ALDH1A1CA2IDO1TSHRKDM4E
SCHEMBL5279733 0.64 TSHR (0.42) ALDH1A1MEN1KMT2AEPHX1CA2
SCHEMBL3628911 0.64
SCHEMBL18890739 0.64 MEN1 (0.39) ALDH1A1MEN1KMT2AUSP2POLB
SCHEMBL14148514 0.63 KDM4E (0.39) ALDH1A1HPGDMEN1KMT2APOLB

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-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US disclosed
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 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-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 ALDH1A1 1255/4885HPGD 2962/4885RXFP1 3841/4885

“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.