SCHEMBL15033485

SCHEMBL15033485

O=C(Cc1cccs1)NCC1CCCO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 1.00
HSD17B10 Q99714 1/20 1.00
HPGD P15428 7/20 0.67
KMT2A Q03164 3/20 0.64
KDM4E B2RXH2 2/20 0.60
LMNA P02545 1/20 0.60
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
PKM P14618 1/20 0.56
CYP2C19 P33261 1/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
MAPT P10636 1/20 0.55
MEN1 O00255 1/20 0.55
USP2 O75604 1/20 0.54

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
SCHEMBL4679769 0.80 POLB (0.67) POLBHSD17B10HPGDKMT2AKDM4E
SCHEMBL6909777 0.76 KMT2A (0.67) POLBHSD17B10HPGDKMT2AKDM4E
SCHEMBL14297340 0.75 KDM4E (0.76) POLBHSD17B10HPGDKDM4ELMNA
SCHEMBL22307416 0.73 ALPL (0.77) POLBHSD17B10HPGDKMT2AKDM4E
SCHEMBL4286612 0.72 RAB9A (0.71) POLBHSD17B10HPGDKMT2AKDM4E
SCHEMBL11704529 0.72 HPGD (0.74) POLBHPGDKMT2AKDM4EPKM
SCHEMBL1568578 0.72 CYP3A4 (0.70) POLBHSD17B10HPGDKMT2ACYP3A4
SCHEMBL12961753 0.71 HPGD (0.77) POLBHSD17B10HPGDKMT2AKDM4E
SCHEMBL21700174 0.71 POLB (0.55) POLBHSD17B10HPGDKMT2AKDM4E
SCHEMBL44548 0.71 POLB (0.56) POLBHSD17B10HPGDKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130156795-A1 METHODS FOR INHIBITION OF CELL PROLIFERATION, SYNERGISTIC TRANSCRIPTION MODULES AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2013-06-20 US disclosed
US-20130156795-A1 METHODS FOR INHIBITION OF CELL PROLIFERATION, SYNERGISTIC TRANSCRIPTION MODULES AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2013-06-20 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 (1 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-20130156795-A1 METHODS FOR INHIBITION OF CELL PROLIFERATION, SYNERGISTIC TRANSCRIPTION MODULES AND USES THEREOF MKI67, DCX, CTCF POLB 750/4885HSD17B10 3597/4885HPGD 3961/4885

“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.