SCHEMBL14960972

SCHEMBL14960972

CCCCCCCCOc1ccc2[nH]cc(CCC)c2c1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 17/20 0.83
HTR1A P08908 16/20 0.83
HTR1D P28221 13/20 0.83
MAPT P10636 2/20 0.83
MAPK1 P28482 2/20 0.83
TDP1 Q9NUW8 2/20 0.83
HTR2A P28223 2/20 0.83
KDM4E B2RXH2 1/20 0.83
TP53 P04637 1/20 0.83
CYP1A2 P05177 1/20 0.83
CYP3A4 P08684 1/20 0.83
CYP2D6 P10635 1/20 0.83
CYP2C9 P11712 1/20 0.83
CYP2C19 P33261 1/20 0.83
MEN1 O00255 1/20 0.81
KMT2A Q03164 1/20 0.81
NPSR1 Q6W5P4 1/20 0.81

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
SCHEMBL14960974 1.00 HTR1B (0.83) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL14960987 1.00 HTR1B (0.83) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL14960969 1.00 HTR1B (0.83) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL14960986 1.00 HTR1B (0.83) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL14960983 1.00 HTR1B (0.83) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL14960982 1.00 HTR1B (0.83) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL14961026 0.96 HTR1B (0.78) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL17402426 0.91 HTR1B (1.00) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL14907348 0.91 HTR1B (1.00) HTR1BHTR1AHTR1DMAPTMAPK1
SCHEMBL8624139 0.91 HTR1B (1.00) HTR1BHTR1AHTR1DMAPTMAPK1

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 3 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-9073851-B2 Compositions and methods for treating cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-07-07 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

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 435/4885HTR1A 152/4885HTR1D 1044/4885
US-20130129812-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER HDGF, HCCS, CCNC HTR1B 435/4885HTR1A 152/4885HTR1D 1044/4885

“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.