SCHEMBL2020118

SCHEMBL2020118

CCCCCCCCCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)CCC(=O)Oc4ccc(C(=O)Oc5ccc(C(=O)Oc6ccc(N7CC[N]CC7)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NFKB1 P19838 3/20 0.48
NFKB2 Q00653 3/20 0.48
RELA Q04206 3/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ME2 P23368 1/20 0.46
ME1 P48163 1/20 0.46
ME3 Q16798 1/20 0.46
THRA P10827 3/20 0.44
THRB P10828 3/20 0.44
PLA2G2A P14555 3/20 0.43
MAPT P10636 6/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL18232049 0.90 HPGD (0.52) NPC1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL16727828 0.90 HPGD (0.52) NPC1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL2015142 0.88 S1PR1 (0.52) NPC1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL10306592 0.82 MAPT (0.53) NPC1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL2431750 0.81 LMNA (0.56) NPC1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL13750001 0.79 MAPT (0.56) NPC1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL12299687 0.79 LMNA (0.69) NPC1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL4171854 0.79 LMNA (0.69) NPC1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL16476681 0.79 LMNA (0.69) NPC1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL9855583 0.79 LMNA (0.69) NPC1LMNASMN1; SMN2NFKB1NFKB2

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
US-8545984-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US claimed
US-20110129678-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-02 US claimed
US-20050004361-A1 Thermally reversible; absorption ratio greater than 2.3 TRANSITIONS OPTICAL LIMITED (IE) 2005-01-06 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20050004361-A1 Thermally reversible; absorption ratio greater than 2.3 CCND1, CCND3, CCND2 NPC1 4806/4885LMNA 505/4885SMN1; SMN2 1502/4885
US-20110129678-A1 Photochromic compounds and compositions CRY2, CRY1, PPOX NPC1 1896/4885LMNA 657/4885SMN1; SMN2 4030/4885

“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.