SCHEMBL8771671

SCHEMBL8771671

COC(=O)c1cc(OC2CCCCO2)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PDE4B Q07343 2/20 0.43
PTPN1 P18031 1/20 0.41
PDE5A O76074 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3905489 0.86 CA12 (0.46) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL30113113 0.84 CA12 (0.49) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL18796365 0.84 CA12 (0.49) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL29232338 0.83 HSD11B1 (0.40) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10923350 0.82 CA12 (0.46) ALDH1A1PDE4BPTPN1HTTNPSR1
SCHEMBL6908438 0.81 GAA (0.41) KDM4ESMN1; SMN2PDE4BPTPN1CYP2C9
SCHEMBL6908220 0.80 ABCG2 (0.65) PDE4BMAPT
SCHEMBL4020110 0.79 NPC1 (0.51) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL7157436 0.78 LMNA (0.41) PDE4BPTPN1KMT2AHTTLMNA
SCHEMBL15100426 0.78 PTPN1 (0.43) ALDH1A1HPGDPDE4BPTPN1MEN1

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-9309455-B2 Indeno-fused ring compounds TRANSITIONS OPTICAL, INC. (US) 2016-04-12 US disclosed
US-20140166948-A1 INDENO-FUSED RING COMPOUNDS TRANSITIONS OPTICAL LIMITED (IE) 2014-06-19 US disclosed
US-8545984-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US disclosed
US-20120126185-A1 INDENO-FUSED RING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2012-05-24 US disclosed
US-20110129678-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-02 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 (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-20110129678-A1 Photochromic compounds and compositions CRY2, CRY1, PPOX KDM4E 2937/4885ALDH1A1 1243/4885HSD17B10 1796/4885
US-20120126185-A1 INDENO-FUSED RING COMPOUNDS CRY2, SQOR, INTS6 KDM4E 464/4885ALDH1A1 498/4885HSD17B10 2142/4885

“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.