SCHEMBL6836700

SCHEMBL6836700

COc1ccc(C=O)c2cc(C(=O)NCCN3CCOCC3)oc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.67
KMT2A Q03164 4/20 0.54
LMNA P02545 2/20 0.53
NPC1 O15118 2/20 0.52
CD274 Q9NZQ7 1/20 0.52
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 5/20 0.51
CYP2C9 P11712 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP2D6 P10635 1/20 0.51
RAB9A P51151 1/20 0.51
HSD17B10 Q99714 3/20 0.50
CYP2C19 P33261 1/20 0.49
ERN1 O75460 1/20 0.48
HPGD P15428 3/20 0.48
MEN1 O00255 2/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
ALOX15 P16050 1/20 0.48
MMP2 P08253 1/20 0.47

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
SCHEMBL6837827 0.85 RXFP1 (0.68) RXFP1KMT2ALMNANPC1CD274
SCHEMBL6837594 0.80 RXFP1 (1.00) RXFP1KMT2ALMNAKDM4EALDH1A1
SCHEMBL6837776 0.79 ERN1 (0.50) KMT2ANPC1KDM4EALDH1A1RAB9A
SCHEMBL6838015 0.79 NPC1 (0.54) KMT2ALMNANPC1ALDH1A1SMN1; SMN2
SCHEMBL6837772 0.79 RXFP1 (0.59) RXFP1KMT2ALMNANPC1CD274
Hydrochloric Acid SCHEMBL6833210 0.78 RXFP1 (0.57) RXFP1KMT2ALMNAKDM4ECYP2C9
SCHEMBL6837541 0.78 RXFP1 (0.57) RXFP1KMT2ALMNAKDM4ECYP2C9
SCHEMBL6838023 0.77 ALDH1A1 (0.48) KMT2ALMNANPC1KDM4EALDH1A1
SCHEMBL6837998 0.77 RXFP1 (0.56) RXFP1KMT2ALMNANPC1CD274
SCHEMBL6837883 0.77 SMN1; SMN2 (0.52) KMT2ALMNAKDM4EALDH1A1SMN1; SMN2

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-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 RXFP1 1019/4885KMT2A 4289/4885LMNA 1848/4885

“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.