SCHEMBL1609877

SCHEMBL1609877

Cc1ccc2c(c1)Cc1cc(C)ccc1S2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
METAP1 P53582 2/20 0.38
PARP10 Q53GL7 2/20 0.37
PARP11 Q9NR21 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 2/20 0.36
BLM P54132 1/20 0.36
DRD2 P14416 2/20 0.34
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10792235 0.92 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL125602 0.90 ALDH1A1 (0.61) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL29829120 0.90 ALDH1A1 (0.61) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL5544641 0.88 KDM4E (0.42) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL28639550 0.88 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL17025412 0.88 BLM (0.51) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL11182451 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL13911834 0.84 KDM4E (0.38) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL7978914 0.83 HPGD (0.39) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL13199308 0.81 KDM4E (0.51) ALDH1A1KDM4EMEN1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090819-B2 Organic electroluminescent element, display device, illuminating device and condensed polycyclic heterocyclic compound Konica Minolta, Inc. (JP) 2015-07-28 US disclosed
US-9090819-B2 Organic electroluminescent element, display device, illuminating device and condensed polycyclic heterocyclic compound Konica Minolta, Inc. (JP) 2015-07-28 US disclosed
US-20120085997-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, ILLUMINATING DEVICE AND CONDENSED POLYCYCLIC HETEROCYCLIC COMPOUND KONICA MINOLTA HOLDINGS, INC. (JP) 2012-04-12 US disclosed
US-20120085997-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, ILLUMINATING DEVICE AND CONDENSED POLYCYCLIC HETEROCYCLIC COMPOUND KONICA MINOLTA HOLDINGS, INC. (JP) 2012-04-12 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-20120085997-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, ILLUMINATING DEVICE AND CONDENSED POLYCYCLIC HETEROCYCLIC COMPOUND CCNE2, C1S, SCO2 ALDH1A1 177/4885KDM4E 2552/4885MEN1 1838/4885

“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.