SCHEMBL23747291

SCHEMBL23747291

COc1ccc(C)c(-c2ccccc2OC(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
HTR7 P34969 3/20 0.44
MAPK1 P28482 2/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 4/20 0.40
CYP2C19 P33261 2/20 0.40
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
CYP2C9 P11712 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
GPR3 P46089 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL11281941 0.85 HTR7 (0.58) HTR7MAPK1TDP1L3MBTL1CYP1A2
SCHEMBL21480791 0.79 CYP1A2 (0.48) HTR7MAPK1CYP1A2CYP2C19CYP2C9
SCHEMBL12180487 0.78 CA12 (0.48) NPSR1MAPTCYP1A2CYP2C19CYP2C9
SCHEMBL1335756 0.78 AKR1C3 (0.47) AKR1C3AKR1C2ADRA2AADRA2BADRA2C
SCHEMBL31634047 0.77 IRAK4 (0.50) NPSR1MAPTCYP1A2CYP2C19CYP2C9
SCHEMBL3632568 0.77 IRAK4 (0.50) NPSR1MAPTCYP1A2CYP2C19CYP2C9
SCHEMBL7792695 0.76 SMN1; SMN2 (0.55) NPSR1AKR1C3AKR1C2
SCHEMBL1911936 0.74 CA12 (0.48) NPSR1MAPK1MAPTL3MBTL1ADRA2A
SCHEMBL22367114 0.73 C1R (0.45) HTR7MAPK1MAPTTDP1CYP1A2
SCHEMBL7005116 0.73 NPSR1 (0.46) NPSR1MAPK1MAPTTDP1L3MBTL1

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 NPSR1 1134/4885HTR7 3090/4885MAPK1 1991/4885
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NPSR1 688/4885HTR7 3334/4885MAPK1 2004/4885

“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.