SCHEMBL19084671

SCHEMBL19084671

Cc1c(C)c2c(c(C)c1O)CCC(C)(C(C)C)O2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.59
TSHR P16473 2/20 0.59
PTGS1 P23219 1/20 0.59
PTGS2 P35354 1/20 0.59
CYP1A2 P05177 1/20 0.59
MAPT P10636 3/20 0.53
LMNA P02545 3/20 0.53
USP2 O75604 2/20 0.53
CYP2C9 P11712 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
GSTP1 P09211 1/20 0.53
TTPA P49638 1/20 0.53
THRB P10828 1/20 0.53
CYP2C19 P33261 1/20 0.53
NR1I2 O75469 2/20 0.52
ALOX5 P09917 4/20 0.48
CYP4F2 P78329 1/20 0.41
CAPN1 P07384 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL8883963 0.90 CYP3A4 (0.56) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL9569395 0.89 CYP3A4 (0.55) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL5165356 0.85 CYP3A4 (0.51) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL10976395 0.84 CYP3A4 (0.54) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL10757447 0.82 PTGS1 (0.62) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL5784443 0.81 PTGS1 (0.53) CYP3A4TSHRPTGS1PTGS2CYP1A2
Apc-100 SCHEMBL633424 0.81 CYP3A4 (0.64) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL14152533 0.81 MEN1 (0.40) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL4427867 0.79 CYP3A4 (0.62) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL8668414 0.79 PTGS1 (0.54) CYP3A4TSHRPTGS1PTGS2CYP1A2

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-11541120-B2 Phosphonium-based ionic drug conjugates ANTHOS PARTNERS, LP (US) 2023-01-03 US disclosed
US-20200353087-A1 PHOSPHONIUM-BASED IONIC DRUG CONJUGATES ANTHOS PARTNERS, LP 2020-11-12 US disclosed
US-20170189429-A1 Treating Arrhythmia with Mitochondrial-Targeted Antioxidants RHODE ISLAND HOSPITAL 2017-07-06 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 (3 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-20200353087-A1 PHOSPHONIUM-BASED IONIC DRUG CONJUGATES SLC8B1, PHOSPHO1, PBDC1 CYP3A4 1720/4885TSHR 4335/4885PTGS1 3789/4885
US-20170189429-A1 Treating Arrhythmia with Mitochondrial-Targeted Antioxidants COQ8A, SQOR, COQ8B CYP3A4 575/4885TSHR 4425/4885PTGS1 1039/4885
US-11541120-B2 Phosphonium-based ionic drug conjugates SLC8B1, PHOSPHO1, PBDC1 CYP3A4 1720/4885TSHR 4335/4885PTGS1 3789/4885

“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.