SCHEMBL399808

SCHEMBL399808

Nc1cc2c(cc1O)CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 1.00
KDM4E B2RXH2 3/20 1.00
ALDH1A1 P00352 3/20 1.00
MEN1 O00255 2/20 1.00
GAA P10253 2/20 1.00
KMT2A Q03164 2/20 1.00
PKM P14618 1/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
ADCY6 O43306 1/20 0.41
ADCY3 O60266 1/20 0.41
ADCY9 O60503 1/20 0.41
ADCY5 O95622 1/20 0.41
ADCY8 P40145 1/20 0.41
ADCY7 P51828 1/20 0.41

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
Bromide SCHEMBL10683199 0.98 MAPT (0.95) MAPTKDM4EALDH1A1MEN1GAA
SCHEMBL1646406 0.95 ALDH1A1 (0.91) MAPTKDM4EALDH1A1MEN1GAA
SCHEMBL21155841 0.84 ALDH1A1 (0.72) MAPTKDM4EALDH1A1MEN1GAA
SCHEMBL6568351 0.81 MAPT (0.67) MAPTKDM4EALDH1A1MEN1GAA
SCHEMBL11347157 0.81 MEN1 (0.67) MAPTKDM4EALDH1A1MEN1GAA
SCHEMBL1535914 0.75 MAPT (0.59) MAPTKDM4EALDH1A1MEN1GAA
SCHEMBL5837186 0.75 KMT2A (0.59) MAPTKDM4EALDH1A1MEN1GAA
SCHEMBL12023176 0.74 ALDH1A1 (0.58) MAPTKDM4EALDH1A1MEN1GAA
SCHEMBL18830558 0.73 MEN1 (0.57) MAPTKDM4EALDH1A1MEN1GAA
SCHEMBL24869713 0.72 DRD1 (0.69) MAPTKDM4EALDH1A1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040261198-A1 Restructuring and finishing of keratin fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2004-12-30 US claimed
EP-1455736-A1 RESTRUCTURING AND FINISHING OF KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-09-15 EP claimed
WO-2003053375-A1 RESTRUCTURING AND FINISHING OF KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-07-03 WO claimed
US-4620010-A Process for preparing carboalkoxy substituted benzoxazole compounds USV PHARMACEUTICAL CORP. (US) 1986-10-28 US claimed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 US disclosed
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-05 US disclosed
EP-0894796-A1 Imidazolines substituted with a heterocyclic ring as alpha-2 antagonists ADIR ET COMPAGNIE (FR) 1999-02-03 EP disclosed
EP-0070531-B1 TETRAHYDRONAPHTHOXAZOLES RORER INTERNATIONAL (OVERSEAS) INC. (US) 1988-03-02 EP disclosed
US-4620010-A Process for preparing carboalkoxy substituted benzoxazole compounds USV PHARMACEUTICAL CORP. (US) 1986-10-28 US disclosed
US-4443610-A Bicyclothiazoles USV PHARMACEUTICAL CORPORATION (US) 1984-04-17 US disclosed
US-4440935-A Bicycloimidazoles USV PHARMACEUTICAL CORPORATION (US) 1984-04-03 US disclosed
EP-0070531-A2 Tetrahydronaphthoxazoles RORER INTERNATIONAL (OVERSEAS) INC. (US) 1983-01-26 EP disclosed
US-4368201-A Tetrahydronaphthoxazoles USV PHARMACEUTICAL CORPORATION (US) 1983-01-11 US disclosed
US-4110246-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DE) 1978-08-29 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 (4 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MAPT 4269/4885KDM4E 4262/4885ALDH1A1 2165/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 MAPT 4269/4885KDM4E 4262/4885ALDH1A1 2165/4885
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MAPT 4269/4885KDM4E 4262/4885ALDH1A1 2165/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MAPT 4269/4885KDM4E 4262/4885ALDH1A1 2165/4885

“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.