SCHEMBL23701772

SCHEMBL23701772

CCCCCCCOc1ccc2[nH]cc(CC(=O)O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 12/20 0.67
HTR1A P08908 11/20 0.67
HTR1D P28221 9/20 0.67
KDM4E B2RXH2 2/20 0.67
MAPT P10636 2/20 0.67
MAPK1 P28482 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
CYP2C9 P11712 2/20 0.67
TP53 P04637 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
HTR2A P28223 1/20 0.67
CYP2C19 P33261 1/20 0.67
NPSR1 Q6W5P4 2/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
PPARG P37231 1/20 0.62
PPARD Q03181 1/20 0.62
PPARA Q07869 1/20 0.62

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
SCHEMBL2429146 0.99 KDM4E (0.68) HTR1BHTR1AHTR1DKDM4EMAPT
SCHEMBL12721122 0.96 KDM4E (0.71) HTR1BHTR1AHTR1DKDM4EMAPT
SCHEMBL15747702 0.91 KDM4E (0.71) HTR1BHTR1AHTR1DKDM4EMAPT
SCHEMBL6221272 0.88 PPARG (0.66) HTR1BHTR1AHTR1DKDM4EMAPT
SCHEMBL8180904 0.86 KDM4E (0.56) HTR1BHTR1AHTR1DKDM4EMAPT
SCHEMBL15747755 0.86 KDM4E (0.75) HTR1BHTR1AHTR1DKDM4ECYP2C9
SCHEMBL15747724 0.84 HTR1B (0.59) HTR1BHTR1AHTR1DKDM4EMAPT
Oxalic Acid SCHEMBL3115180 0.84 HTR1B (0.87) HTR1BHTR1AHTR1DKDM4EMAPT
Oxalic Acid SCHEMBL8628241 0.84 HTR1B (0.87) HTR1BHTR1AHTR1DKDM4EMAPT
SCHEMBL14960974 0.83 HTR1B (0.83) HTR1BHTR1AHTR1DKDM4EMAPT

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-12150447-B2 Plant growth regulator UNIVERSITY OF WASHINGTON (US) 2024-11-26 US disclosed
US-20210235697-A1 PLANT GROWTH REGULATOR UNIVERSITY OF WASHINGTON (US) 2021-08-05 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-20210235697-A1 PLANT GROWTH REGULATOR ING2, GHRHR, MYB HTR1B 1151/4885HTR1A 1218/4885HTR1D 1485/4885
US-12150447-B2 Plant growth regulator ING2, GHRHR, MYB HTR1B 1151/4885HTR1A 1218/4885HTR1D 1485/4885

“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.