SCHEMBL9973052

SCHEMBL9973052

CCCC(C)C1CCC(C2CCC(C(=O)Oc3ccc(-c4ccc(C(=O)OC)cc4)cc3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.40
MAPT P10636 5/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MGLL Q99685 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL9973051 0.82 KMT2A (0.38) ELANENPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL9973041 0.82 MAPT (0.41) MAPTALDH1A1HPGDHSD17B10MGLL
SCHEMBL9973022 0.82 MAPT (0.41) MAPTALDH1A1HPGDHSD17B10MGLL
SCHEMBL9973034 0.82 MAPT (0.41) MAPTALDH1A1HPGDHSD17B10MGLL
SCHEMBL15214808 0.81 ELANE (0.51) ELANEMAPTALDH1A1HPGDHSD17B10
SCHEMBL12125157 0.81 ELANE (0.48) ELANEMAPTALDH1A1HPGDHSD17B10
SCHEMBL8771844 0.80 MGLL (0.46) ELANEMAPTALDH1A1MGLLNPC1
SCHEMBL9973040 0.79 SLC6A2 (0.43) MAPTALDH1A1HPGDHSD17B10NPC1
SCHEMBL25502752 0.79 ELANE (0.48) ELANEMAPTALDH1A1HPGDHSD17B10
SCHEMBL10932380 0.79 ELANE (0.48) ELANEMAPTALDH1A1HPGDHSD17B10

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
WO-2012082383-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO disclosed
US-20110279883-A1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL, INC. (US) 2011-11-17 US disclosed
US-20110143141-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-16 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-20110143141-A1 Photochromic compounds and compositions CCNA1, CRY1, CCNT1 ELANE 3628/4885MAPT 785/4885ALDH1A1 43/4885

“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.