SCHEMBL671650

SCHEMBL671650

Nc1cc(F)c(F)c(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.48
TDP1 Q9NUW8 4/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 5/20 0.45
MAPT P10636 3/20 0.45
HSD17B10 Q99714 3/20 0.45
CYP3A4 P08684 3/20 0.45
THRB P10828 2/20 0.45
RECQL P46063 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
HPGD P15428 2/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
APEX1 P27695 1/20 0.45
BLM P54132 1/20 0.45
MCL1 Q07820 1/20 0.45
TNF P01375 1/20 0.45

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
SCHEMBL30739727 1.00 KDM4E (0.48) KDM4ETDP1KMT2AMEN1ALDH1A1
SCHEMBL28058282 0.83 CES2 (0.43) KDM4ETDP1KMT2AMEN1ALDH1A1
SCHEMBL10316128 0.81 KDM4E (0.53) KDM4ETDP1KMT2AMEN1ALDH1A1
SCHEMBL12640736 0.81 TDP1 (0.55) KDM4ETDP1KMT2AMEN1ALDH1A1
SCHEMBL16416383 0.79 KDM4E (0.46) KDM4ETDP1KMT2AMEN1ALDH1A1
SCHEMBL20045610 0.79 KDM4E (0.66) KDM4ETDP1KMT2AMEN1ALDH1A1
SCHEMBL20045612 0.79 CYP3A4 (0.50) KDM4ETDP1KMT2AMEN1ALDH1A1
Ammonia Solution, Strong SCHEMBL31538196 0.79 KDM4E (0.46) KDM4ETDP1KMT2AMEN1ALDH1A1
Ammonia Solution, Strong SCHEMBL31538137 0.79 KDM4E (0.46) KDM4ETDP1KMT2AMEN1ALDH1A1
SCHEMBL14207284 0.79 KDM4E (0.55) KDM4ETDP1KMT2AMEN1ALDH1A1

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973883-B1 NOVEL COMPOUNDS AND METHODS FOR THEIR PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2012-07-11 EP claimed
US-20110021481-A1 Novel Compounds and Methods for Their Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 US claimed
US-20090253667-A1 18 ,21-Didesoxymacbecin Derivatives for the Treatment of Cancer BIOTICA TECHNOLOGY LIMITED (GB) 2009-10-08 US claimed
EP-1973883-A2 NOVEL COMPOUNDS AND METHODS FOR THEIR PRODUCTION Biotica Technology Limited (GB) 2008-10-01 EP claimed
EP-1928837-A2 18,21-DIDESOXYMACBECIN DERIVATIVES FOR THE TREATMENT OF CANCER Biotica Technology Limited (GB) 2008-06-11 EP claimed
WO-2008056188-A2 NOVEL COMPOUNDS AND METHODS FOR THEIR PRODUCTION BIOTICA TECHNOLOGY LIMITED (GB) 2008-05-15 WO claimed
WO-2007128829-A2 18,21-DIDESOXYMACBECIN DERIVATIVES FOR THE TREATMENT OF CANCER BIOTICA TECHNOLOGY LIMITED (GB) 2007-11-15 WO claimed
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 CN disclosed
EP-3964495-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2022-03-09 EP disclosed
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-06-03 US disclosed
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2021-05-04 US disclosed
CN-110072842-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2019-07-30 CN disclosed
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-06-06 US disclosed
WO-2008094438-A1 MACROLACTAMS BY ENGINEERED BIOSYNTHESIS KOSAN BIOSCIENCES INCORPORATED (US) 2008-08-07 WO disclosed
US-20080188450-A1 A 2-azabicyclo(16.3.1)docosa-1(21),4,6,10,18-penntaen-9-ylcarbamate derivative; Heat shock protein 90 inhibitors; hyperproliferative disease, breast cancer, ovarian cancer, leukemia, colon cancer, lung cancer KOSAN BIOSCIENCES INCORPORATED 2008-08-07 US disclosed
EP-1928837-A2 18,21-DIDESOXYMACBECIN DERIVATIVES FOR THE TREATMENT OF CANCER Biotica Technology Limited (GB) 2008-06-11 EP disclosed
WO-2008056189-A1 18, 21-DIDESOXYMACBECIN DERIVATIVES FOR THE TREATMENT OF CANCER BIOTICA TECHNOLOGY LIMITED (GB) 2008-05-15 WO disclosed
WO-2008056188-A2 NOVEL COMPOUNDS AND METHODS FOR THEIR PRODUCTION BIOTICA TECHNOLOGY LIMITED (GB) 2008-05-15 WO disclosed
WO-2008056188-A2 NOVEL COMPOUNDS AND METHODS FOR THEIR PRODUCTION BIOTICA TECHNOLOGY LIMITED (GB) 2008-05-15 WO disclosed
WO-2007128829-A2 18,21-DIDESOXYMACBECIN DERIVATIVES FOR THE TREATMENT OF CANCER BIOTICA TECHNOLOGY LIMITED (GB) 2007-11-15 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 (6 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-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD KDM4E 1646/4885TDP1 738/4885KMT2A 2668/4885
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto ACHE, DDT, MLYCD KDM4E 1646/4885TDP1 738/4885KMT2A 2668/4885
US-20090253667-A1 18 ,21-Didesoxymacbecin Derivatives for the Treatment of Cancer BCL3, BECN1, CD22 KDM4E 1367/4885TDP1 2444/4885KMT2A 2175/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD KDM4E 1609/4885TDP1 683/4885KMT2A 2615/4885
US-20110021481-A1 Novel Compounds and Methods for Their Production BCL6, BCL3, AQP4 KDM4E 2782/4885TDP1 2964/4885KMT2A 3784/4885
US-20080188450-A1 A 2-azabicyclo(16.3.1)docosa-1(21),4,6,10,18-penntaen-9-ylcarbamate derivative; Heat shock protein 90 inhibitors; hyperproliferative disease, breast cancer, ovarian cancer, leukemia, colon cancer, lung cancer HSP90AB2P, HSP90AB1, HSPA1B KDM4E 2715/4885TDP1 3707/4885KMT2A 1837/4885

“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.