SCHEMBL6861276

SCHEMBL6861276

COc1ccc(C=O)c(N)c1O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 16/20 0.58
TLR2 O60603 1/20 0.58
TLR1 Q15399 1/20 0.58
TLR6 Q9Y2C9 1/20 0.58
ALDH1A1 P00352 2/20 0.46
TRIM24 O15164 1/20 0.44
TYR P14679 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
AOX1 Q06278 1/20 0.44

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
SCHEMBL1527154 0.82 ERN1 (0.69) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL17913647 0.79 ALDH1A1 (0.47) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL8043039 0.79 ERN1 (0.59) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL11396901 0.79 CYP19A1 (0.47) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL13605931 0.79 ERN1 (0.59) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL1299161 0.78 ERN1 (0.58) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL2721648 0.78 ERN1 (0.58) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL195007 0.78 ERN1 (0.58) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL1637980 0.78 ERN1 (0.59) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL5047642 0.78 ERN1 (0.58) ERN1TLR2TLR1TLR6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-9458170-B2 Compound of camptothecin and preparation and use thereof YULIANG LI (CN) 2016-10-04 US disclosed
US-9458170-B2 Compound of camptothecin and preparation and use thereof YULIANG LI (CN) 2016-10-04 US disclosed
US-9458170-B2 Compound of camptothecin and preparation and use thereof YULIANG LI (CN) 2016-10-04 US disclosed
US-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (CN) 2015-06-18 US disclosed
US-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (CN) 2015-06-18 US disclosed
US-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (CN) 2015-06-18 US disclosed
EP-2862571-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (MN) 2015-04-22 EP disclosed
EP-2862571-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (MN) 2015-04-22 EP disclosed
CN-103509030-A Camptothecin compound and preparation and application thereof LI YULIANG 2014-01-15 CN disclosed
EP-1095040-B1 NEW BENZOXAZOLES WITH PDE-INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2004-03-31 EP disclosed
US-6376485-B1 SELECTIVE PHOSPHODIESTERASE INHIBITORS FOR TREATING ASTHMA, BRONCHITIS, AND EMPHYSEMA; HIGH BIOAVAILABILITY AND LOW TOXICITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2002-04-23 US disclosed
EP-1095040-A1 NEW BENZOXAZOLES WITH PDE-INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-05-02 EP disclosed
WO-2000001695-A1 NEW BENZOXAZOLES WITH PDE-INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-01-13 WO 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-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF TOP2A, TOP2B, TYMP ERN1 2613/4885TLR2 4240/4885TLR1 3825/4885

“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.