SCHEMBL4104048

SCHEMBL4104048

Cc1c(Cl)c(=O)oc2cc(OP(O)(O)=S)ccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.70
ALDH1A1 P00352 6/20 0.70
HPGD P15428 6/20 0.70
CA12 O43570 1/20 0.70
CA1 P00915 1/20 0.70
CA3 P07451 1/20 0.70
CYP3A4 P08684 1/20 0.70
CA4 P22748 1/20 0.70
CA6 P23280 1/20 0.70
CA5A P35218 1/20 0.70
CA7 P43166 1/20 0.70
CA9 Q16790 1/20 0.70
CA13 Q8N1Q1 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
CA14 Q9ULX7 1/20 0.70
CA5B Q9Y2D0 1/20 0.70
GAA P10253 4/20 0.67
HSD17B10 Q99714 2/20 0.67
USP2 O75604 1/20 0.64
GLA P06280 1/20 0.64

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
SCHEMBL38663564 1.00 KDM4E (0.70) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL4104045 0.86 KDM4E (0.65) KDM4EALDH1A1HPGDCA12CA1
Coumaphos SCHEMBL9812699 0.85 KDM4E (0.93) KDM4EALDH1A1HPGDCA12CA1
Coumaphos SCHEMBL9812694 0.83 KDM4E (0.89) KDM4EALDH1A1HPGDCA12CA1
Coumaphos SCHEMBL9283960 0.83 KDM4E (1.00) KDM4EALDH1A1HPGDCA12CA1
Coumaphos SCHEMBL120173 0.83 KDM4E (1.00) KDM4EALDH1A1HPGDCA12CA1
Coumaphos SCHEMBL29363459 0.83 KDM4E (1.00) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL18284647 0.82 KDM4E (0.76) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL23743853 0.81 KDM4E (0.74) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL3265953 0.81 KDM4E (0.62) KDM4EALDH1A1HPGDCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254701-B2 Spinosyn formulations for treatment of Demodex-induced ocular and facial conditions APERTA BIOSCIENCES, LLC (US) 2022-02-22 US disclosed
CN-112770742-A Spinosad formulations for the treatment of demodex-induced eye and face diseases 阿佩塔生物科学有限公司 2021-05-07 CN disclosed
US-10730901-B2 Spinosyn formulations for treatment of demodex-induced ocular and facial conditions APERTA BIOSCIENCES, LLC (US) 2020-08-04 US disclosed
US-20200031859-A1 SPINOSYN FORMULATIONS FOR TREATMENT OF DEMODEX-INDUCED OCULAR AND FACIAL CONDITIONS APERTA BIOSCIENCES, LLC 2020-01-30 US disclosed
US-9493805-B2 Enzymatic biosensors with enhanced activity retention for detection of organic compounds COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2016-11-15 US disclosed
US-20130143844-A1 ECTOPARASITICIDE-CONTAINING PREPARATION FOR SPONTANEOUS EMULSION FORMATION BAYER ANIMAL HELATH GMBH (DE) 2013-06-06 US disclosed
US-8323956-B2 Distal tip of biosensor transducer comprising enzyme for deamination COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-12-04 US disclosed
US-20090221014-A1 Enzymatic Biosensors With Enhanced Activity Retention For Detection Of Organic Compounds COLORADO STATE UNIVERSITY RESEARCH FOUNDATION 2009-09-03 US disclosed
US-20090026092-A1 Enzymatic Biosensors With Enhanced Activity Retention For Detection Of Organic Compounds NIH - DEITR 2009-01-29 US disclosed
US-20050214336-A1 Parasite control in animals BAYER HEALTHCARE AG (DE) 2005-09-29 US disclosed
US-4678777-A SYNERGISTS BAYER AKTIENGESELLSCHAFT (DE) 1987-07-07 US disclosed
US-4609648-A SYNERGISTS FOR ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DE) 1986-09-02 US disclosed
US-4575516-A SYNERGISTS BAYER AKTIENGESELLSCHAFT (DE) 1986-03-11 US disclosed
EP-0144721-A1 Agent for the control of varoatose BAYER AG (DE) 1985-06-19 EP disclosed
US-4511562-A (Thio)(dithio-phosphates(phosphonates), processes for their preparation, and their use in pest-combating agents BAYER AKTIENGESELLSCHAFT (DE) 1985-04-16 US disclosed
US-4500348-A Oil-in-water emulsions, and their use BAYER AKTIENGESELLSCHAFT (DE) 1985-02-19 US disclosed
US-4330674-A INSECTICIDES, NEMATOCIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-05-18 US disclosed
US-4309425-A Miticidal, insecticidal, ovicidal and fungicidal N-(N',N'-diarylaminothio)sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-01-05 US disclosed
US-4254141-A INSECTICIDES, MITICIDES, NEMATOCIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-03 US disclosed
US-4056631-A CARBODIMINES, MITICIDE SHOWA DENKO K.K. (JA) 1977-11-01 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-20200031859-A1 SPINOSYN FORMULATIONS FOR TREATMENT OF DEMODEX-INDUCED OCULAR AND FACIAL CONDITIONS SOST, KRT18, DSTN KDM4E 3025/4885ALDH1A1 4200/4885HPGD 4332/4885
US-10730901-B2 Spinosyn formulations for treatment of demodex-induced ocular and facial conditions SOST, KRT18, DSTN KDM4E 3025/4885ALDH1A1 4200/4885HPGD 4332/4885
US-20130143844-A1 ECTOPARASITICIDE-CONTAINING PREPARATION FOR SPONTANEOUS EMULSION FORMATION LIPA, PHOSPHO1, NAPEPLD KDM4E 4266/4885ALDH1A1 3856/4885HPGD 2702/4885
US-11254701-B2 Spinosyn formulations for treatment of Demodex-induced ocular and facial conditions SOST, KRT18, DSTN KDM4E 3025/4885ALDH1A1 4200/4885HPGD 4332/4885
US-20050214336-A1 Parasite control in animals PKLR, PKM, TKT KDM4E 89/4885ALDH1A1 857/4885HPGD 1577/4885

“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.