SCHEMBL18357201

SCHEMBL18357201

Cc1cc(O)c(C)c(C(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.59
LMNA P02545 3/20 0.56
TRPA1 O75762 3/20 0.56
SLC6A2 P23975 2/20 0.56
HTR2B P41595 2/20 0.56
CHRM1 P11229 1/20 0.56
ADRA1A P35348 1/20 0.56
SELL P14151 1/20 0.46
SELP P16109 1/20 0.46
SELE P16581 1/20 0.46
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
GABRA1 P14867 6/20 0.40
GABRB2 P47870 4/20 0.40
GABRB1 P18505 4/20 0.38
ALDH1A1 P00352 2/20 0.36
PTGS1 P23219 2/20 0.36
CYP3A4 P08684 2/20 0.36
FAAH O00519 1/20 0.36
CYP1A2 P05177 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
SCHEMBL7020412 0.86 ACHE (0.59) ACHELMNATRPA1SLC6A2HTR2B
SCHEMBL20636510 0.82 LMNA (0.42) ACHELMNATRPA1SLC6A2HTR2B
SCHEMBL4623974 0.81 LMNA (0.56) ACHELMNATRPA1SLC6A2HTR2B
SCHEMBL7942520 0.81 GABRA1 (0.61) ACHELMNATRPA1SLC6A2HTR2B
SCHEMBL1487428 0.79 LMNA (0.54) ACHELMNATRPA1SLC6A2HTR2B
SCHEMBL544651 0.77 CA1 (0.67) LMNATRPA1SLC6A2HTR2BCHRM1
SCHEMBL27102740 0.76 LMNA (0.40) ACHELMNATRPA1SLC6A2HTR2B
SCHEMBL28849208 0.76 CA1 (0.46) ACHELMNATRPA1SLC6A2HTR2B
SCHEMBL69718 0.76 ACHE (1.00) ACHELMNATRPA1SLC6A2HTR2B
SCHEMBL1229146 0.75 LMNA (0.38) ACHELMNATRPA1SLC6A2HTR2B

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-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-06-29 US disclosed
US-20170267630-A1 CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-09-21 US disclosed
US-9540317-B2 Class- and isoform-specific HDAC inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-01-10 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-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES TYMS, TYMP, DHFR ACHE 3218/4885LMNA 3865/4885TRPA1 3963/4885
US-20170267630-A1 CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 ACHE 3197/4885LMNA 1808/4885TRPA1 3003/4885

“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.