SCHEMBL6935704

SCHEMBL6935704

C=Cc1cc(OC(C)C)ccc1OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
ALDH1A3 P47895 1/20 0.40
KMT2A Q03164 2/20 0.39
MDM2 Q00987 2/20 0.39
PARP10 Q53GL7 1/20 0.38
BRD4 O60885 1/20 0.38
BRPF1 P55201 1/20 0.38
JUN P05412 1/20 0.37
NFKB1 P19838 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
ERN1 O75460 1/20 0.36
POLB P06746 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL16309558 0.89 JUN (0.45) ALDH1A1KMT2AJUNNFKB1ERN1
SCHEMBL16957470 0.85 MEN1 (0.40) KMT2AKDM4EHTTP2RX3
SCHEMBL16961007 0.84 TACR1 (0.38) NFKB1LMNASMN1; SMN2
SCHEMBL339513 0.84 ALDH1A1 (0.43) ALDH1A1KMT2APOLBIRAK4LMNA
SCHEMBL3673788 0.83 ALDH1A1 (0.36) ALDH1A1KMT2AMDM2PARP10JUN
SCHEMBL6930848 0.81 ALDH1A3 (0.53) ALDH1A1ALDH1A3KMT2AMDM2PARP10
SCHEMBL12885255 0.81 ALDH1A1 (0.41) ALDH1A1ALDH1A3KMT2APARP10BRD4
SCHEMBL13257964 0.81 P2RX3 (0.39) ALDH1A1POLBLMNAMAPTALOX12
SCHEMBL16309634 0.81 BRD4 (0.38) ALDH1A1ALDH1A3KMT2AMDM2PARP10
SCHEMBL6578342 0.80 ALDH1A1 (0.39) ALDH1A1ALDH1A3KMT2AMDM2PARP10

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
EP-1058548-B1 THE USE OF ISATIN AND OXINDOLE DERIVATIVES IN THE PREPARATION OF A MEDICAMENT FOR USE IN THE TREATMENT OF MYCOBACTERIAL DISEASE ASTRAZENECA AB (SE) 2003-09-17 EP claimed
EP-1371657-A1 Transition-metal complexes and use thereof in transition-metal catalysed reactions.. Bayer Aktiengesellschaft (DE) 2003-12-17 EP disclosed
US-20030220512-A1 Novel transition metal complexes and their use in transition metal-catalysed reactions BAYER AKTIENGESELLSCHAFT (DE) 2003-11-27 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-20030220512-A1 Novel transition metal complexes and their use in transition metal-catalysed reactions AP1M1, AP3M1, CYC1 ALDH1A1 1042/4885ALDH1A3 3225/4885KMT2A 3801/4885

“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.