SCHEMBL15499765

SCHEMBL15499765

CCNc1ccc(COC(C)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
CYP3A4 P08684 1/20 0.45
MAPT P10636 6/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
GAA P10253 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
APAF1 O14727 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL19600462 0.86 ALDH1A1 (0.53) ALDH1A1CYP3A4MAPTKMT2AMEN1
SCHEMBL26553682 0.84 ALDH1A1 (0.55) ALDH1A1CYP3A4MAPTKMT2AMEN1
SCHEMBL12173945 0.84 MAPT (0.43) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL18874604 0.84 ADRA2A (0.46) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL19154800 0.83 ROCK2 (0.41) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL22388985 0.83 L3MBTL1 (0.45) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL132773 0.82 ALDH1A1 (0.78) ALDH1A1CYP3A4MAPTKMT2AMEN1
SCHEMBL12285735 0.81 ALDH1A1 (0.60) ALDH1A1CYP3A4MAPTKMT2AMEN1
SCHEMBL21120303 0.81 KMT2A (0.43) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL22788429 0.81 CA1 (0.44) ALDH1A1MAPTKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024036329-A2 CYTOTOXIC COMPOUNDS AND CONJUGATES THEREOF SEAGEN INC. (US) 2024-02-15 WO disclosed
WO-2023178289-A2 CAMPTOTHECIN CONJUGATES SEAGEN INC. (US) 2023-09-21 WO disclosed
WO-2023061405-A1 HIGHLY-STABLE TARGETED LINKER-DRUG CONJUGATE 成都科岭源医药技术有限公司 2023-04-20 WO disclosed
US-11559558-B2 Weekly dosing regimens for anti-CD30 vc-PAB-MMAE antibody drug-conjugates SEAGEN INC. (US) 2023-01-24 US disclosed
WO-2022262789-A1 ANTITUMOR COMPOUND AND USE THEREOF 明慧医药(杭州)有限公司 2022-12-22 WO disclosed
EP-3500574-B1 SECO-CYCLOPROPAPYRROLOINDOLE COMPOUNDS, ANTIBODY-DRUG CONJUGATES THEREOF, AND METHODS OF MAKING AND USE BRISTOL MYERS SQUIBB CO (US) 2021-11-24 EP disclosed
WO-2018075842-A1 CONDENSED BENZODIAZEPINE DERIVATIVES AND CONJUGATES MADE THEREFROM BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-26 WO disclosed
WO-2018035391-A1 SECO-CYCLOPROPAPYRROLOINDOLE COMPOUNDS, ANTIBODY-DRUG CONJUGATES THEREOF, AND METHODS OF MAKING AND USE BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-22 WO disclosed
US-20170252458-A1 ERIBULIN-BASED ANTIBODY-DRUG CONJUGATES AND METHODS OF USE MORPHOTEK, INC. 2017-09-07 US disclosed
US-20170218085-A1 SITE-SPECIFIC LABELING METHODS AND MOLECULES PRODUCED THEREBY NOVARTIS AG (CH) 2017-08-03 US disclosed
US-20150104468-A1 SITE-SPECIFIC LABELING METHODS AND MOLECULES PRODUCED THEREBY IRM LLC (BM) 2015-04-16 US disclosed
US-20140065171-A1 Site-Specific Labeling Methods and Molecules Produced Thereby NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2014-03-06 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 (5 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-20150104468-A1 SITE-SPECIFIC LABELING METHODS AND MOLECULES PRODUCED THEREBY PTMS, DNPEP, PSAT1 ALDH1A1 2810/4885CYP3A4 2125/4885MAPT 2727/4885
US-11559558-B2 Weekly dosing regimens for anti-CD30 vc-PAB-MMAE antibody drug-conjugates CD44, PABPC1, CD47 ALDH1A1 639/4885CYP3A4 2150/4885MAPT 1886/4885
US-20170252458-A1 ERIBULIN-BASED ANTIBODY-DRUG CONJUGATES AND METHODS OF USE FOLR1, FOLR2, TUBB1 ALDH1A1 2699/4885CYP3A4 3838/4885MAPT 305/4885
US-20140065171-A1 Site-Specific Labeling Methods and Molecules Produced Thereby PTMS, DNPEP, PSAT1 ALDH1A1 2362/4885CYP3A4 1469/4885MAPT 2702/4885
US-20170218085-A1 SITE-SPECIFIC LABELING METHODS AND MOLECULES PRODUCED THEREBY PTMS, DNPEP, PSAT1 ALDH1A1 2362/4885CYP3A4 1469/4885MAPT 2702/4885

“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.