SCHEMBL24358705

SCHEMBL24358705

CCCCOc1ccc2[nH]cc(C(C)C)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 13/20 0.60
HTR1A P08908 12/20 0.56
HTR1D P28221 11/20 0.56
MAPT P10636 2/20 0.55
MAPK1 P28482 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
HTR2A P28223 2/20 0.55
KDM4E B2RXH2 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
HTT P42858 1/20 0.49

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
SCHEMBL23259141 0.87 HTR2A (0.53) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL12247689 0.80 HTR1B (0.60) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL12180277 0.80 HTR2B (0.70) HTR1BHTR1AHTR1DMAPTHTR2A
SCHEMBL7085697 0.79 TRPM8 (0.60) HTR1BHTR1AHTR1DMAPTKDM4E
SCHEMBL23269931 0.79 HTR1B (0.71) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL7056044 0.78 MTNR1A (0.61) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL8321115 0.78 HTR1B (0.93) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL14961026 0.78 HTR1B (0.78) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL5469807 0.77 HTR1B (0.67) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL19465380 0.76 HTR2A (0.51) HTR1AHTR2AKDM4EHTR2CHTR2B

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-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 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-20220127266-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 HTR1B 4873/4885HTR1A 4870/4885HTR1D 4877/4885

“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.