SCHEMBL23701768

SCHEMBL23701768

O=C(O)Cc1c[nH]c2ccc(C3CCCCC3)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.64
TSHR P16473 2/20 0.58
HPGD P15428 2/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 1/20 0.58
GLA P06280 1/20 0.58
CYP2C9 P11712 1/20 0.58
NFKB1 P19838 1/20 0.58
PMP22 Q01453 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
KDM4E B2RXH2 1/20 0.53
TRPV1 Q8NER1 1/20 0.49
NR4A1 P22736 1/20 0.43
ACMSD Q8TDX5 2/20 0.43
CYP2C19 P33261 1/20 0.42
GSK3B P49841 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL18509432 0.80 HPGD (0.63) HTR1DTSHRHPGDALDH1A1LMNA
SCHEMBL6973292 0.78 HTR1D (1.00) HTR1DTSHRCYP2C9NFKB1PMP22
SCHEMBL31543643 0.78 TRPV1 (0.64) HTR1DTSHRHPGDALDH1A1LMNA
Hydrochloric Acid SCHEMBL7818127 0.77 HTR1D (0.97) HTR1DTSHRCYP2C9NFKB1PMP22
SCHEMBL23718990 0.77 HTR1D (0.52) HTR1DTRPV1ACMSDKMO
SCHEMBL23702341 0.77 KDM4E (0.60) HTR1DTSHRHPGDALDH1A1LMNA
SCHEMBL6963613 0.76 HTR1D (0.72) HTR1DLMNACYP2C9KMT2A
SCHEMBL11389386 0.76 ACMSD (0.58) GLACYP2C9KDM4EACMSDKMT2A
SCHEMBL6962933 0.74 HTR1D (0.69) HTR1D
SCHEMBL18029028 0.74 KMT2A (0.67) HTR1DTSHRALDH1A1LMNACYP2C9

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-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
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 HTR1D 1485/4885TSHR 57/4885HPGD 3249/4885
US-12150447-B2 Plant growth regulator ING2, GHRHR, MYB HTR1D 1485/4885TSHR 57/4885HPGD 3249/4885

“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.