SCHEMBL3262858

SCHEMBL3262858

Clc1ccc(CCCCCC2CO2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
IGF1R P08069 1/20 0.43
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 1/20 0.42
KCNH2 Q12809 4/20 0.41
DRD4 P21917 2/20 0.40
NAAA Q02083 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL8804058 0.93 KMT2A (0.47) MEN1KMT2AIGF1RALOX15KCNH2
SCHEMBL8804583 0.85 DRD4 (0.51) MEN1KMT2AALDH1A1DRD4CYP1A2
SCHEMBL8070541 0.81 MEN1 (0.65) MEN1KMT2AALDH1A1TAAR1MGLL
SCHEMBL10487984 0.81 MEN1 (0.65) MEN1KMT2AALDH1A1TAAR1MGLL
SCHEMBL13423741 0.81 MEN1 (0.65) MEN1KMT2AALDH1A1TAAR1MGLL
SCHEMBL9136546 0.81 MEN1 (0.65) MEN1KMT2AALDH1A1TAAR1MGLL
SCHEMBL13839941 0.81 ALDH1A1 (0.46) MEN1KMT2AALDH1A1ENPP2MGLL
SCHEMBL51135 0.79 MEN1 (0.67) MEN1KMT2ATAAR1MGLL
SCHEMBL28966782 0.78 IGF1R (0.61) IGF1RALOX15KCNH2HDAC3HDAC4
SCHEMBL1115439 0.78 IGF1R (0.61) IGF1RALOX15KCNH2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168176-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME FASGEN LLC (US) 2010-07-01 US disclosed
US-20100120901-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME FASGEN,INC (US) 2010-05-13 US disclosed
US-20100029761-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME FAS SECURED CREDITORS HOLDCO, LLC 2010-02-04 US disclosed
US-20100029752-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME FAS SECURED CREDITORS HOLDCO, LLC 2010-02-04 US disclosed
US-20060241177-A1 Novel compounds, pharmaceutical compositions containing same, and methods of use for same FAS SECURED CREDITORS HOLDCO, LLC 2006-10-26 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 (5 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-20060241177-A1 Novel compounds, pharmaceutical compositions containing same, and methods of use for same CPT1B, CPT1A, CRAT MEN1 2433/4885KMT2A 3758/4885IGF1R 348/4885
US-20100029752-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME CYP3A7, DHCR7, CYP2A7 MEN1 2293/4885KMT2A 4580/4885IGF1R 1137/4885
US-20100120901-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME CPT1A, CPT1B, CPT2 MEN1 2374/4885KMT2A 4379/4885IGF1R 310/4885
US-20100168176-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME AOC3, CYP2B6, CBR3 MEN1 2061/4885KMT2A 3678/4885IGF1R 679/4885
US-20100029761-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME NR1H4, CYP3A4, CYP4A11 MEN1 2674/4885KMT2A 3143/4885IGF1R 2233/4885

“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.