SCHEMBL98717

SCHEMBL98717

C=Cc1ccc(OCCCN(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
ALDH1A1 P00352 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
HRH3 Q9Y5N1 5/20 0.59
LSS P48449 1/20 0.57
CHRNB2 P17787 1/20 0.54
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
CHRNA7 P36544 1/20 0.54
CHRNA4 P43681 1/20 0.54
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
DNM1 Q05193 2/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
APP P05067 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL3445815 0.95 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL3444791 0.93 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL3446469 0.93 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL3446237 0.91 HRH3 (0.58) KDM4EALDH1A1SMN1; SMN2HRH3CHRNB2
SCHEMBL3446734 0.85 CHRNB2 (0.54) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL9671156 0.84 KDM4E (0.83) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL3445140 0.83 CHRNB2 (0.55) KDM4EHRH3CHRNB2CHRNB4CHRNA3
SCHEMBL1260922 0.82 CHRNA7 (0.61) ALDH1A1SMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL9943360 0.82 CHRNA7 (0.61) KDM4EALDH1A1SMN1; SMN2CHRNB2CHRNB4
SCHEMBL3446196 0.82 CHRNB2 (0.48) KDM4EALDH1A1SMN1; SMN2HRH3LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319394-B2 Both terminal-modified conjugated diene-based polymer and method for preparing the same LG CHEM, LTD. 2022-05-03 US disclosed
CN-110475794-B Conjugated diene polymer modified at both ends and preparation method thereof 株式会社LG化学 2022-03-11 CN disclosed
EP-3508509-B1 BOTH-END-MODIFIED CONJUGATED DIENE-BASED POLYMER AND METHOD FOR PRODUCING SAME LG CHEMICAL LTD (KR) 2020-05-13 EP disclosed
EP-2569434-B1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA AND RELATED DISORDERS DANA FARBER CANCER INST INC (US) 2019-09-04 EP disclosed
US-20190263956-A1 Both Terminal-modified Conjugated Diene-based Polymer And Method For Preparing The Same LG CHEM, LTD. (KR) 2019-08-29 US disclosed
EP-3508509-A1 BOTH-END-MODIFIED CONJUGATED DIENE-BASED POLYMER AND METHOD FOR PRODUCING SAME LG Chem, Ltd. (KR) 2019-07-10 EP disclosed
US-9932309-B2 2-oxo-3,4-dihydropyridine-5-carboxylates and their use UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2018-04-03 US disclosed
US-20170210710-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-07-27 US disclosed
US-9260540-B1 Method of making a functionalized polymer with sulfide linkage BRIDGESTONE CORPORATION (JP) 2016-02-16 US disclosed
US-9260540-B1 Method of making a functionalized polymer with sulfide linkage BRIDGESTONE CORPORATION (JP) 2016-02-16 US disclosed
US-20120059113-A1 PROCESSING OF RUBBER COMPOSITIONS INCLUDING SILICEOUS FILLERS BRIDGESTONE CORPORATION (JP) 2012-03-08 US disclosed
US-7816475-B2 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof TOSOH CORPORATION (JP) 2010-10-19 US disclosed
US-7816475-B2 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof TOSOH CORPORATION (JP) 2010-10-19 US disclosed
US-7638546-B1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2009-12-29 US disclosed
EP-1829857-B1 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof TOSOH CORP (JP) 2009-11-04 EP disclosed
US-7566734-B2 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2009-07-28 US disclosed
US-20070299073-A1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2007-12-27 US disclosed
US-20070213490-A1 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof TOSOH CORPORATION 2007-09-13 US disclosed
EP-1829857-A1 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof Tosoh Corporation (JP) 2007-09-05 EP disclosed
US-7238695-B2 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, SAS (FR) 2007-07-03 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-20070299073-A1 Imidazolyl derivatives SSTR5, SSTR3, SSTR2 KDM4E 3035/4885ALDH1A1 2490/4885SMN1; SMN2 3365/4885
US-20170210710-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE CYP3A5, CYP2D6, QDPR KDM4E 853/4885ALDH1A1 47/4885SMN1; SMN2 1654/4885

“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.