SCHEMBL14893147

SCHEMBL14893147

CCCCCCCCCOc1cccc2[nH]ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.59
MEN1 O00255 2/20 0.55
MAPK1 P28482 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 1/20 0.55
HTR1A P08908 10/20 0.54
DRD4 P21917 2/20 0.53
DRD3 P35462 2/20 0.53
DRD2 P14416 1/20 0.53
SLC6A4 P31645 3/20 0.50
MCL1 Q07820 1/20 0.49
ADRB3 P13945 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
LMNA P02545 2/20 0.48
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL3798923 0.94 HTR1B (0.62) HTR1BMEN1MAPK1KMT2AMAPT
SCHEMBL3799623 0.89 HTR1B (0.64) HTR1BMEN1MAPK1KMT2AMAPT
SCHEMBL7883052 0.86 HTR1B (0.57) HTR1BMEN1MAPK1KMT2AMAPT
SCHEMBL2165716 0.84 HTR1B (0.56) HTR1BMEN1MAPK1KMT2AMAPT
SCHEMBL7876385 0.84 HTR1B (0.58) HTR1BMEN1MAPK1KMT2AMAPT
Ethoxycarbonyl Group SCHEMBL27891885 0.82 HTR1B (0.51) HTR1BMEN1MAPK1KMT2AMAPT
SCHEMBL1545429 0.82 HTR1B (0.60) HTR1BMEN1MAPK1KMT2AMAPT
SCHEMBL827777 0.82 HTR1B (0.59) HTR1BMEN1MAPK1KMT2AMAPT
SCHEMBL11543577 0.81 HTR1B (0.58) HTR1BMEN1MAPK1KMT2AMAPT
SCHEMBL10591827 0.81 HTR1B (0.58) HTR1BMEN1MAPK1KMT2AMAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150306077-A1 Novel Compositions and Methods for Treating Cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2015-10-29 US disclosed
US-20150306077-A1 Novel Compositions and Methods for Treating Cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2015-10-29 US disclosed
US-20150306077-A1 Novel Compositions and Methods for Treating Cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2015-10-29 US disclosed
US-9073851-B2 Compositions and methods for treating cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-07-07 US disclosed
US-9073851-B2 Compositions and methods for treating cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-07-07 US disclosed
US-9073851-B2 Compositions and methods for treating cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-07-07 US disclosed
EP-2771341-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER Board Of Regents, The University Of Texas System (US) 2014-09-03 EP disclosed
US-20130129812-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-23 US disclosed
US-20130129812-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-23 US disclosed
US-20130129812-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-23 US disclosed
WO-2013063492-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-02 WO disclosed
WO-2013063492-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-02 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 (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-20150306077-A1 Novel Compositions and Methods for Treating Cancer HDGF, HCCS, CCNC HTR1B 435/4885MEN1 86/4885MAPK1 2638/4885
US-20130129812-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER HDGF, HCCS, CCNC HTR1B 435/4885MEN1 86/4885MAPK1 2638/4885

“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.