SCHEMBL172849

SCHEMBL172849

CC(C)c1cc2c(cc1O)OCO2

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX15 P16050 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMAD3 P84022 9/20 0.49
P4HB P07237 14/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.42

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
SCHEMBL15979635 0.88 HSP90AA1 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL12210461 0.84 TAAR1 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL18029886 0.77 CYP3A4 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL16900583 0.77 CYP3A4 (0.74) CYP1A2CYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL24598746 0.77 P4HB (0.58) CYP1A2CYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL24598730 0.77 CYP3A4 (0.69) CYP1A2CYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL11087697 0.77 CYP3A4 (0.69) CYP1A2CYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL11974261 0.77 MAPT (0.39) CYP1A2CYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL2268770 0.77 CYP3A4 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL23771835 0.75 SMAD3 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9ALOX15

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773086-B2 Fungal modulators TRUSTEES OF BOSTON UNIVERSITY (US) 2023-10-03 US disclosed
US-11773086-B2 Fungal modulators TRUSTEES OF BOSTON UNIVERSITY (US) 2023-10-03 US disclosed
WO-2022135136-A1 TUBERCULATIN ANALOGS AS ANTIVIRAL AGENTS HONG KONG BAPTIST UNIVERSITY (CN) 2022-06-30 WO disclosed
US-20220064152-A1 NOVEL FUNGAL MODULATORS TRUSTEES OF BOSTON UNIVERSITY (US) 2022-03-03 US disclosed
EP-1522581-B1 Optical sortingmethod MEDICAL RES COUNCIL (GB) 2012-03-07 EP 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-11773086-B2 Fungal modulators ABCB11, ABCB1, ABCC1 CYP1A2 601/4885CYP3A4 507/4885CYP2D6 723/4885
US-20220064152-A1 NOVEL FUNGAL MODULATORS ABCB11, ABCB1, ABCC1 CYP1A2 877/4885CYP3A4 656/4885CYP2D6 803/4885

“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.