SCHEMBL23718988

SCHEMBL23718988

CCCCc1ccc(-c2ccc3[nH]cc(CC(=O)O)c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TSHR P16473 2/20 0.54
HPGD P15428 2/20 0.54
LMNA P02545 1/20 0.54
GLA P06280 1/20 0.54
CYP2C9 P11712 1/20 0.54
NFKB1 P19838 1/20 0.54
PMP22 Q01453 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ICMT O60725 7/20 0.54
KDM4E B2RXH2 1/20 0.53
HTR1A P08908 2/20 0.52
HSD17B10 Q99714 1/20 0.51
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
RARB P10826 1/20 0.48
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
GABRA1 P14867 1/20 0.46

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
SCHEMBL6221272 0.83 PPARG (0.66) ALDH1A1TSHRHPGDLMNAGLA
SCHEMBL30261856 0.82 TSHR (0.66) ALDH1A1TSHRHPGDLMNAGLA
SCHEMBL23701757 0.82 TSHR (0.66) ALDH1A1TSHRHPGDLMNAGLA
SCHEMBL6509009 0.79 TSHR (0.62) ALDH1A1TSHRHPGDLMNAGLA
SCHEMBL6131655 0.79 TSHR (0.66) ALDH1A1TSHRHPGDLMNAGLA
SCHEMBL23701748 0.79 TSHR (0.58) ALDH1A1TSHRHPGDLMNAGLA
SCHEMBL23701735 0.78 TSHR (0.61) ALDH1A1TSHRHPGDLMNAGLA
SCHEMBL23701758 0.78 ICMT (0.64) ALDH1A1TSHRHPGDLMNAGLA
SCHEMBL23701770 0.76 ICMT (0.79) ALDH1A1TSHRHPGDLMNAGLA
SCHEMBL12721122 0.76 KDM4E (0.71) ALDH1A1TSHRHPGDLMNAGLA

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-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 (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-20210235697-A1 PLANT GROWTH REGULATOR ING2, GHRHR, MYB ALDH1A1 3460/4885TSHR 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.