SCHEMBL865615

SCHEMBL865615

CC(C)(C)OC(=O)CCCOCCN

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
CNR1 P21554 1/20 0.33
STING1 Q86WV6 1/20 0.33
TSHR P16473 1/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC3 O15379 1/20 0.31

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
SCHEMBL31697438 0.98 CYP1A2 (0.36) CYP1A2EPHX2ALDH1A1MAPTTHRB
SCHEMBL15130700 0.98 CYP1A2 (0.36) CYP1A2EPHX2ALDH1A1MAPTTHRB
SCHEMBL29167439 0.98 CYP1A2 (0.36) CYP1A2EPHX2ALDH1A1MAPTTHRB
SCHEMBL25191851 0.98 CYP1A2 (0.36) CYP1A2EPHX2ALDH1A1MAPTTHRB
SCHEMBL22295484 0.93 EPHX2 (0.39) CYP1A2EPHX2ALDH1A1MAPTTHRB
SCHEMBL22295492 0.93 EPHX2 (0.39) CYP1A2EPHX2ALDH1A1MAPTTHRB
SCHEMBL22276632 0.91 EPHX2 (0.38) CYP1A2EPHX2ALDH1A1MAPTTHRB
SCHEMBL16329744 0.89 CYP1A2 (0.32) CYP1A2EPHX2STING1
SCHEMBL1668810 0.89 STING1 (0.34) CYP1A2EPHX2STING1HDAC8HDAC1
SCHEMBL31250921 0.87 CYP1A2 (0.40) CYP1A2EPHX2ALDH1A1THRBSTING1

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
US-20240018583-A1 METHOD FOR ANALYZING HIGHER-ORDER STRUCTURE OF RNA XFOREST THERAPEUTICS CO., LTD. (JP) 2024-01-18 US disclosed
US-20230382886-A1 CONJUGATED TLR7 AND NOD2 AGONISTS UNIVERZA V LJUBLJANI (SI) 2023-11-30 US disclosed
US-20230265429-A1 SKELETAL MUSCLE DELIVERY PLATFORMS AND METHODS OF USE THEREOF Arrowhead Pharmaceuticals, Inc. 2023-08-24 US disclosed
US-20230226193-A1 LIPID CONJUGATES FOR THE DELIVERY OF THERAPEUTIC AGENTS Arrowhead Pharmaceuticals, Inc. 2023-07-20 US disclosed
WO-2022148459-A1 CLASS OF NOVEL SMAD3 PROTEIN DEGRADERS AND APPLICATION THEREOF 和径医药科技(上海)有限公司 2022-07-14 WO disclosed
US-10450310-B2 Bifunctional molecules for degradation of EGFR and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-10-22 US disclosed
US-9839687-B2 Acetylenedicarboxyl linkers and their uses in specific conjugation of a cell-binding molecule SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2017-12-12 US disclosed
US-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2017-05-04 US disclosed
US-20160320399-A1 MACROCYCLIC HOPO CHELATORS LUMIPHORE, INC. 2016-11-03 US disclosed
US-9273059-B2 Macrocyclic HOPO chelators LUMIPHORE, INC. (US) 2016-03-01 US disclosed
US-20120214253-A1 MACROCYCLIC HOPO CHELATORS LUMIPHORE, INC. (US) 2012-08-23 US disclosed
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 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 (9 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-20240018583-A1 METHOD FOR ANALYZING HIGHER-ORDER STRUCTURE OF RNA NSUN2, NSUN3, FBL CYP1A2 4782/4885EPHX2 3041/4885ALDH1A1 3488/4885
US-20230382886-A1 CONJUGATED TLR7 AND NOD2 AGONISTS NOD2, TLR7, TLR9 CYP1A2 2475/4885EPHX2 2943/4885ALDH1A1 4574/4885
US-20230226193-A1 LIPID CONJUGATES FOR THE DELIVERY OF THERAPEUTIC AGENTS CPT1B, MUSK, MYLK2 CYP1A2 4343/4885EPHX2 3168/4885ALDH1A1 1330/4885
US-20160320399-A1 MACROCYCLIC HOPO CHELATORS PHPT1, SSB, CD69 CYP1A2 4852/4885EPHX2 3048/4885ALDH1A1 4846/4885
US-20120214253-A1 MACROCYCLIC HOPO CHELATORS PHPT1, SSB, CD69 CYP1A2 4852/4885EPHX2 3048/4885ALDH1A1 4846/4885
US-10450310-B2 Bifunctional molecules for degradation of EGFR and methods of use EGFR, ERBB2, ERBB3 CYP1A2 3906/4885EPHX2 1013/4885ALDH1A1 2376/4885
US-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF AURKC, AURKA, AURKB CYP1A2 4376/4885EPHX2 3217/4885ALDH1A1 1924/4885
US-20230265429-A1 SKELETAL MUSCLE DELIVERY PLATFORMS AND METHODS OF USE THEREOF MUSK, MYLK2, TNNC1 CYP1A2 4692/4885EPHX2 4580/4885ALDH1A1 2528/4885
US-20120077781-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS CYP1A2 465/4885EPHX2 1099/4885ALDH1A1 807/4885

“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.