SCHEMBL23747248

SCHEMBL23747248

COc1ccc(CCCOCc2ccccc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
EBP Q15125 2/20 0.56
SIGMAR1 Q99720 2/20 0.56
TMEM97 Q5BJF2 1/20 0.56
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
BLM P54132 1/20 0.53
ABCB1 P08183 3/20 0.53
MTNR1A P48039 2/20 0.53
MTNR1B P49286 2/20 0.53
ADRB2 P07550 1/20 0.52
DRD2 P14416 1/20 0.52
DRD1 P21728 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.51

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
SCHEMBL12971411 0.84 EBP (0.68) EBPSIGMAR1TMEM97KDM4EABCB1
SCHEMBL10526510 0.84 EBP (0.68) EBPSIGMAR1TMEM97KDM4EABCB1
SCHEMBL12040575 0.82 EBP (0.67) EBPSIGMAR1TMEM97KDM4EABCB1
SCHEMBL18454046 0.82 MTNR1A (0.57) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8604705 0.80 CYP19A1 (0.70) EBPSIGMAR1TMEM97KDM4ECYP1A2
SCHEMBL30173445 0.80 CYP19A1 (0.70) EBPSIGMAR1TMEM97KDM4ECYP1A2
SCHEMBL19210361 0.80 L3MBTL1 (0.88) TDP1L3MBTL1SIGMAR1ABCB1
SCHEMBL23206799 0.79 KDM4E (0.59) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4069939 0.78 TDP1 (0.64) TDP1L3MBTL1SIGMAR1DRD2
SCHEMBL10343404 0.78 ATM (0.70) EBPSIGMAR1KDM4ECYP1A2CYP3A4

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-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2021-08-12 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 (2 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-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 TDP1 3665/4885L3MBTL1 2990/4885EBP 1861/4885
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 TDP1 3947/4885L3MBTL1 3563/4885EBP 1795/4885

“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.