SCHEMBL29635826

SCHEMBL29635826

CCCOc1ccccc1F

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.69
TDP1 Q9NUW8 2/20 0.63
KDM4E B2RXH2 6/20 0.50
TTR P02766 1/20 0.49
CYP1A2 P05177 4/20 0.49
CYP2C19 P33261 4/20 0.49
CYP2D6 P10635 3/20 0.49
CYP2C9 P11712 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
RECQL P46063 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 2/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
THRB P10828 1/20 0.44

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
SCHEMBL255561 1.00 L3MBTL1 (0.69) L3MBTL1TDP1KDM4ETTRCYP1A2
SCHEMBL17394783 0.92 L3MBTL1 (0.61) L3MBTL1TDP1KDM4ETTRCYP1A2
SCHEMBL255559 0.89 L3MBTL1 (0.72) L3MBTL1TDP1KDM4ETTRCYP1A2
SCHEMBL10263925 0.88 L3MBTL1 (0.76) L3MBTL1TDP1KDM4ETTRCYP1A2
SCHEMBL6888665 0.86 L3MBTL1 (0.73) L3MBTL1TDP1KDM4ECYP1A2CYP2C19
SCHEMBL4612580 0.86 L3MBTL1 (0.73) L3MBTL1TDP1KDM4ECYP1A2CYP2C19
SCHEMBL9148177 0.86 L3MBTL1 (0.73) L3MBTL1TDP1KDM4ECYP1A2CYP2C19
SCHEMBL28027719 0.86 L3MBTL1 (0.73) L3MBTL1TDP1KDM4ECYP1A2CYP2C19
1,2-Dipropoxybenzene SCHEMBL578657 0.84 CYP1A2 (0.56) L3MBTL1TDP1KDM4ECYP1A2CYP2C19
1,2-Dipropoxybenzene SCHEMBL29428926 0.84 CYP1A2 (0.56) L3MBTL1TDP1KDM4ECYP1A2CYP2C19

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-12336981-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2025-06-24 US disclosed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
US-11279687-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2022-03-22 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 (3 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-11279687-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 L3MBTL1 3643/4885TDP1 4076/4885KDM4E 813/4885
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NNT L3MBTL1 3102/4885TDP1 3705/4885KDM4E 1401/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 L3MBTL1 2990/4885TDP1 3665/4885KDM4E 1325/4885

“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.