SCHEMBL27453036

SCHEMBL27453036

COc1ccc(C)cc1CC(C)C

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
HTR2A P28223 2/20 0.50
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 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
SCHEMBL6126086 0.85 ACHE (0.52) ACHEHTR2AALDH1A1CYP3A4GAA
SCHEMBL9116596 0.82 ACHE (0.46) ACHEHTR2AALDH1A1CYP3A4
SCHEMBL26922425 0.82 HTR2A (0.53) ACHEHTR2AALDH1A1CYP3A4
SCHEMBL309617 0.81 ALDH1A1 (0.61) ALDH1A1GAA
SCHEMBL16056216 0.81 ACHE (0.44) ACHEHTR2AALDH1A1CYP3A4
SCHEMBL4960829 0.81 HTR2A (0.74) HTR2AGAA
SCHEMBL10148127 0.81 HTR2A (0.50) HTR2AALDH1A1GAA
SCHEMBL3207574 0.80 ACHE (0.56) ACHEALDH1A1CYP3A4GAA
SCHEMBL24899349 0.80 SLC13A5 (0.49) ACHEHTR2AALDH1A1
SCHEMBL11288361 0.79 ACHE (0.60) ACHEALDH1A1CYP3A4GAA

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-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 US disclosed
US-20180064711-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE 2018-03-08 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-20180064711-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES CLPP, SI, SAMHD1 ACHE 92/4885HTR2A 1695/4885ALDH1A1 1257/4885
US-12029739-B2 SHP2 inhibitor and use thereof PTPN1, PTPN5, PTPN2 ACHE 4486/4885HTR2A 4330/4885ALDH1A1 3565/4885

“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.