SCHEMBL27016299

SCHEMBL27016299

COc1cc(C(C)C)ccc1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HIF1A Q16665 1/20 0.43
HTR2C P28335 2/20 0.41
ALDH1A1 P00352 2/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
HTR2A P28223 2/20 0.38
RAB9A P51151 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL6707301 0.89 HTR2C (0.58) HDAC4HDAC8HTR2CHTR2A
SCHEMBL25691218 0.88 ALDH1A1 (0.48) HDAC4HDAC8HTR2CALDH1A1HTR2A
SCHEMBL16951872 0.86 HIF1A (0.41) HDAC4HDAC8HIF1AHTR2CHTR2A
SCHEMBL21145969 0.86 MMP13 (0.43) HDAC4HDAC8HIF1AHTR2CALDH1A1
SCHEMBL27017096 0.85 ALDH1A1 (0.42) HDAC4HDAC8HIF1AHTR2CALDH1A1
SCHEMBL6707933 0.82 QDPR (0.53) ALDH1A1MEN1KMT2A
SCHEMBL17660575 0.81 CHRM4 (0.46)
SCHEMBL16952484 0.80 HTR2C (0.37) HIF1AHTR2CALDH1A1HTR2AMEN1
SCHEMBL15713203 0.79 HDAC4 (0.42) HDAC4HDAC8HIF1AALDH1A1RAB9A
SCHEMBL3378367 0.78 DRD2 (0.46) ALDH1A1MEN1KMT2ADRD2

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-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY Lhotse Bio, Inc (US) 2024-01-18 US disclosed
US-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY Lhotse Bio, Inc (US) 2024-01-18 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-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY LPAR1, LPAR2, LPAR5 HDAC4 1370/4885HDAC8 650/4885HIF1A 3139/4885

“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.