SCHEMBL5145745

SCHEMBL5145745

CCCCOc1c(C)cc(CCNn2c(C)nc3cc(F)ccc32)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
MAPT P10636 4/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
TP53 P04637 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
SCN8A Q9UQD0 2/20 0.35
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
PDE2A O00408 4/20 0.34

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
SCHEMBL5146649 0.86 SMN1; SMN2 (0.47) MAPTHPGDCYP1A2CYP3A4GAA
SCHEMBL5142150 0.69 SMN1; SMN2 (0.48) MAPTHPGDCYP1A2CYP3A4GAA
SCHEMBL6506398 0.63 HRH4 (0.34) HRH3SMN1; SMN2S1PR2S1PR1S1PR3
SCHEMBL14154503 0.61 S1PR2 (0.44) MAPTSCN8AS1PR2S1PR1S1PR3
SCHEMBL10641373 0.61 KDM4E (0.64) MAPTHPGDCYP1A2GAASMN1; SMN2
SCHEMBL11586422 0.61 KMT2A (0.46) MAPTS1PR2S1PR1S1PR3LPAR2
SCHEMBL19245727 0.59 S1PR2 (0.41) HPGDCYP3A4SMN1; SMN2S1PR2S1PR1
SCHEMBL8052547 0.59 RAB9A (0.59) MAPTCYP1A2CYP2C19SMN1; SMN2TP53
SCHEMBL20206661 0.59 TDP1 (0.48) MAPTHPGDSMN1; SMN2TP53KDM4E
SCHEMBL15223509 0.58 ESR1 (0.51) MAPTCYP1A2CYP2D6CYP2C9CYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070269664-A1 Gas Barrier Laminated Film and Process for Producing the Same SAI NIPPON PRINTING CO., LTD. (JP) 2007-11-22 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 (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-20070269664-A1 Gas Barrier Laminated Film and Process for Producing the Same CDH1, VIL1, TET1 HRH3 2801/4885MAPT 100/4885HPGD 3570/4885

“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.