SCHEMBL1077698

SCHEMBL1077698

[CH2]CCCOc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.52
DRD2 P14416 3/20 0.52
DRD3 P35462 3/20 0.52
KCNH2 Q12809 2/20 0.52
ALDH3A1 P30838 1/20 0.50
HRH3 Q9Y5N1 6/20 0.47
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIGMAR1 Q99720 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
SCHEMBL1045733 0.93 ALDH3A1 (0.53) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL8778546 0.91 HRH3 (0.53) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL1043999 0.91 HRH3 (0.53) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL8778528 0.91 HRH3 (0.53) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL8778548 0.91 HRH3 (0.53) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL8778507 0.91 HRH3 (0.53) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL712373 0.88 DRD4 (0.48) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL9770302 0.85 ALDH3A1 (0.62) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL9770319 0.85 DRD4 (0.59) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL30514014 0.83 HRH3 (0.61) DRD4DRD2DRD3KCNH2ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110981768-A Simple synthesis method of aryl difluoroalkyl sulfoxide compound 山东理工大学 2020-04-10 CN claimed
US-4455367-A CYAN COUPLERS FUJI PHOTO FILM CO., LTD. (JP) 1984-06-19 US claimed
US-4454225-A COUPLERS PREVENTING YELLOW IDSCOLORATION AT UNEXPOSED AREAS FUJI PHOTO FILM CO., LTD. (JP) 1984-06-12 US claimed
US-4334011-A CYAN DYE FORMING COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1982-06-08 US claimed
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 US disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
US-8871794-B2 Small-molecule agonists for type-2 orexin receptor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-10-28 US disclosed
WO-2014170343-A1 DEPOLARIZING AGENTS AND NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS FOR TREATING DOPAMINERGIC-RELATED DISORDERS ICM (INSTITUT DU CERVEAU ET DE LA MOELLE ÉPINIÈRE) (FR) 2014-10-23 WO disclosed
US-20140051700-A1 Small-molecule agonists for type-2 orexin receptor UNIVERSITY OF TEXAS, BOARD OF REGENTS 2014-02-20 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
CN-102895230-A Antituberculous composition comprising oxazole compounds OTSUKA PHARMA CO LTD 2013-01-30 CN disclosed
US-4334011-A CYAN DYE FORMING COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1982-06-08 US disclosed
US-4122282-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-10-24 US disclosed
US-4099014-A BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-07-04 US disclosed
US-4085139-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-04-18 US disclosed
US-4081478-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-03-28 US disclosed
US-4073808-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-02-14 US disclosed
US-4033989-A 9-Deoxy-PGF2 Analogs THE UPJOHN COMPANY (US) 1977-07-05 US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 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 (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-20140051700-A1 Small-molecule agonists for type-2 orexin receptor HCRTR2, HCRTR1, OXTR DRD4 806/4885DRD2 175/4885DRD3 392/4885
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 DRD4 888/4885DRD2 2614/4885DRD3 1127/4885

“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.