SCHEMBL9863399

SCHEMBL9863399

COC(CO)COC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
ADRB2 P07550 2/20 0.51
ADRB1 P08588 2/20 0.51
ADRB3 P13945 2/20 0.51
PRKCA P17252 1/20 0.51
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
TSHR P16473 3/20 0.48
KMT2A Q03164 3/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SLC1A5 Q15758 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 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
SCHEMBL27786896 0.91 PTPN1 (0.47) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL9935576 0.90 ALDH1A1 (0.59) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL18651713 0.87 ALDH1A1 (0.59) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL3181495 0.85 ALDH1A1 (0.61) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL29964300 0.85 ALDH1A1 (0.61) ALDH1A1ADRB2ADRB1ADRB3PRKCA
Ethylene SCHEMBL19616645 0.82 ALDH1A1 (0.57) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL784821 0.81 ALDH1A1 (0.65) ALDH1A1ADRB2ADRB1ADRB3PRKCA
Propene SCHEMBL1270277 0.80 PRKCA (0.52) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL21869784 0.80 ALDH1A1 (0.55) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL17429724 0.79 ALDH1A1 (0.62) ALDH1A1ADRB2ADRB1ADRB3PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10449258-B2 Antibody drug conjugate, intermediate, preparation method, pharmaceutical composition and uses thereof XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2019-10-22 US disclosed
US-20180161446-A1 ANTIBODY DRUG CONJUGATE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2018-06-14 US disclosed
US-20180161446-A1 ANTIBODY DRUG CONJUGATE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2018-06-14 US disclosed
EP-3308801-A1 ANTIBODY DRUG CONJUGATE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF XDCExplorer (Shanghai) Co., Ltd. (CN) 2018-04-18 EP disclosed
US-5025005-A Preventive or therapeutic agents for circulatory diseases, allergic disorders; antineoplastic agent; inhibitor for platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-06-18 US disclosed
US-4737518-A ANTIALLERGENS, ANTINEOPLASTICS, ANTICOAGULANTS, CIRCULATORY DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-04-12 US disclosed
EP-0157609-A2 Lipid derivatives their production and use Takeda Chemical Industries, Ltd. (JP) 1985-10-09 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-10449258-B2 Antibody drug conjugate, intermediate, preparation method, pharmaceutical composition and uses thereof FCGR3B, SI, INCENP ALDH1A1 567/4885ADRB2 2851/4885ADRB1 2458/4885
US-20180161446-A1 ANTIBODY DRUG CONJUGATE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF FCGR3B, SI, INCENP ALDH1A1 567/4885ADRB2 2851/4885ADRB1 2458/4885

“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.