SCHEMBL903428

SCHEMBL903428

CCOC(=O)[C@]1(N)C[C@@H]1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM1A O60341 13/20 0.49
MAOA P21397 12/20 0.49
MAOB P27338 12/20 0.49
ADORA3 P0DMS8 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL15767768 1.00 GAA (0.53) GAASMN1; SMN2KDM1AMAOAMAOB
Trifluoroacetic Acid SCHEMBL15667517 0.92 GAA (0.47) GAASMN1; SMN2KDM1AMAOAMAOB
Trifluoroacetic Acid SCHEMBL15284412 0.89 GAA (0.47) GAASMN1; SMN2KDM1AMAOAMAOB
SCHEMBL10083062 0.86 PPARG (0.46) KDM1AMAOAMAOB
SCHEMBL28668280 0.85 ABCC1 (0.51) GAASMN1; SMN2KDM1A
Hydrochloric Acid SCHEMBL3658022 0.84 KDM1A (0.52) GAASMN1; SMN2KDM1AKDM4E
SCHEMBL903571 0.84 MAOA (0.50) KDM1AMAOAMAOB
SCHEMBL2074431 0.83 KDM1A (0.50) KDM1AMAOAMAOB
SCHEMBL2074430 0.83 KDM1A (0.50) KDM1AMAOAMAOB
SCHEMBL28558069 0.81 SMN1; SMN2 (0.56) GAASMN1; SMN2KDM1AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160193359-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF SEATTLE GENETICS, INC. (US) 2016-07-07 US disclosed
US-20160193359-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF SEATTLE GENETICS, INC. (US) 2016-07-07 US disclosed
US-20150246136-A1 NOVEL BINDER-DRUG CONJUGATES (ADCs) AND USE OF SAME SEATTLE GENETICS, INC. (US) 2015-09-03 US disclosed
US-20150246136-A1 NOVEL BINDER-DRUG CONJUGATES (ADCs) AND USE OF SAME SEATTLE GENETICS, INC. (US) 2015-09-03 US disclosed
EP-2621508-B1 N-CARBOXYALKYL AURISTATINS AND THE USE THEREOF SEATTLE GENETICS INC (US) 2015-08-26 EP disclosed
US-20150148298-A1 N-CARBOXYALKYL-AURISTATIN AND USE THEREOF SEATTLE GENETICS, INC. (US) 2015-05-28 US disclosed
US-20150148298-A1 N-CARBOXYALKYL-AURISTATIN AND USE THEREOF SEATTLE GENETICS, INC. (US) 2015-05-28 US disclosed
US-8992932-B2 Binder-drug conjugates (ADCs) and use thereof SEATTLE GENETICS, INC. (US) 2015-03-31 US disclosed
US-8992932-B2 Binder-drug conjugates (ADCs) and use thereof SEATTLE GENETICS, INC. (US) 2015-03-31 US disclosed
US-8987209-B2 N-carboxyalkyl-auristatin and the use thereof SEATTLE GENETICS, INC. (US) 2015-03-24 US disclosed
WO-2013087716-A2 NEW ANTIBODY DRUG CONJUGATES (ADCS) AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-06-20 WO disclosed
US-20130122024-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 US disclosed
US-20130122024-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 US disclosed
US-20130095123-A1 New binder-drug conjugates (ADCs) and use thereof Bayer Pharma AG (DE) 2013-04-18 US disclosed
US-20130095123-A1 New binder-drug conjugates (ADCs) and use thereof Bayer Pharma AG (DE) 2013-04-18 US disclosed
US-20130066055-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-14 US disclosed
US-20130066055-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-14 US disclosed
WO-2012143495-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
WO-2012143496-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
WO-2012041805-A1 N-CARBOXYALKYL AURISTATINS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-05 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-20130122024-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF MDN1, EPCAM, VCAM1 GAA 1794/4885SMN1; SMN2 2778/4885KDM1A 2479/4885
US-20130066055-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 GAA 1606/4885SMN1; SMN2 4203/4885KDM1A 3254/4885
US-20160193359-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 GAA 1606/4885SMN1; SMN2 4203/4885KDM1A 3254/4885
US-20150148298-A1 N-CARBOXYALKYL-AURISTATIN AND USE THEREOF HDGF, HGFAC, HGF GAA 1530/4885SMN1; SMN2 4376/4885KDM1A 3178/4885
US-20150246136-A1 NOVEL BINDER-DRUG CONJUGATES (ADCs) AND USE OF SAME DDR1, IGFBP6, KDR GAA 1381/4885SMN1; SMN2 4223/4885KDM1A 3109/4885
US-20130095123-A1 New binder-drug conjugates (ADCs) and use thereof CDK4, CDKL4, FLT4 GAA 1606/4885SMN1; SMN2 4203/4885KDM1A 3254/4885

“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.