SCHEMBL24517751

SCHEMBL24517751

CC(C)Oc1ccc2c(C(C)C)cccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 3/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 1/20 0.41
PARP10 Q53GL7 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
GAA P10253 2/20 0.39
HSD17B10 Q99714 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL27729420 0.87 KMT2A (0.39) KMT2AMAPTMEN1SMN1; SMN2TP53
SCHEMBL14242763 0.84 CYP1A2 (0.57) KMT2AMEN1CYP3A4CYP1A2CYP2A6
SCHEMBL4771625 0.83 KMT2A (0.41) KMT2AMAPTMEN1SMN1; SMN2TP53
SCHEMBL3275633 0.81 CYP1A2 (0.53) KMT2AMAPTMEN1SMN1; SMN2TP53
SCHEMBL26866973 0.81 CYP1A2 (0.38) KMT2AMAPTMEN1SMN1; SMN2TP53
SCHEMBL15772429 0.81 MCHR1 (0.46) KMT2AMAPTMEN1SMN1; SMN2TP53
SCHEMBL26725170 0.79 PLAU (0.49) KMT2AALDH1A1IRAK4CYP1A2
SCHEMBL276584 0.79 CYP1A2 (0.58) KMT2AMAPTMEN1SMN1; SMN2TP53
SCHEMBL15772680 0.78 NQO1 (0.47) ALDH1A1KDM4EHPGDHSD17B10IRAK4
SCHEMBL3275120 0.77 MTNR1A (0.44) KMT2AMAPTMEN1SMN1; SMN2TP53

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-20220184115-A1 POLYMER NANOPARTICLE, POLYMER COMPOSITION, METHOD OF MAKING A POLYMER NANOPARTICLE, METHOD FOR TREATMENT OF BACTERIAL BIOFILMS, AND METHOD FOR DETECTION OF BACTERIAL BIOFILMS UNIVERSITY OF MASSACHUSETTS 2022-06-16 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-20220184115-A1 POLYMER NANOPARTICLE, POLYMER COMPOSITION, METHOD OF MAKING A POLYMER NANOPARTICLE, METHOD FOR TREATMENT OF BACTERIAL BIOFILMS, AND METHOD FOR DETECTION OF BACTERIAL BIOFILMS RPN1, COL1A1, PFN1 KMT2A 3879/4885MAPT 2353/4885MEN1 2250/4885

“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.