SCHEMBL9955023

SCHEMBL9955023

CC(C)=CCCC(C)CC=CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX15 P16050 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
TOP1 P11387 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ARG2 P78540 1/20 0.38
SRC P12931 1/20 0.35
NFE2L2 Q16236 1/20 0.35
MSR1 P21757 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
SCHEMBL16053089 1.00 MAOB (0.46) MAOBATMTDP1L3MBTL1ALOX15
SCHEMBL29565969 0.80 HTR2A (0.51) ATMTDP1L3MBTL1ALOX15ALDH1A1
SCHEMBL25272304 0.78 ATM (0.39) ATMTDP1L3MBTL1ALOX15ALDH1A1
SCHEMBL4940586 0.78 ALOX15 (0.52) ATMTDP1L3MBTL1ALOX15ALDH1A1
SCHEMBL9956144 0.76 MAOB (0.50) MAOBL3MBTL1ALDH1A1TOP1CA1
SCHEMBL9956141 0.76 MAOB (0.50) MAOBL3MBTL1ALDH1A1TOP1CA1
SCHEMBL4623293 0.74 ATM (0.44) ATMTDP1L3MBTL1ALOX15ALDH1A1
SCHEMBL8483777 0.73 MAOB (0.60) MAOBTSHRTOP1CA1CA2
SCHEMBL29169690 0.73 ALOX15 (0.59) TDP1ALOX15ALDH1A1TSHRNFE2L2
SCHEMBL11617690 0.73 ACE (0.47) ATMTDP1L3MBTL1ALOX15ALDH1A1

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-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2016-01-21 US disclosed
EP-2970347-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS Dublin City University (IE) 2016-01-20 EP disclosed
WO-2014140353-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2014-09-18 WO disclosed
EP-2655307-A1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS Givaudan SA (CH) 2013-10-30 EP disclosed
WO-2012085287-A1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS GIVAUDAN SA (CH) 2012-06-28 WO 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-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DCXR, TECR, PWWP2B MAOB 242/4885ATM 2179/4885TDP1 3280/4885

“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.