SCHEMBL4620558

SCHEMBL4620558

COc1ccc(F)cc1-c1ccccc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.52
JAK3 P52333 1/20 0.52
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BACE1 P56817 1/20 0.46
SYK P43405 1/20 0.46
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.45
FFAR4 Q5NUL3 1/20 0.45
S1PR1 P21453 1/20 0.45
GAA P10253 1/20 0.45
PTPRC P08575 1/20 0.45
PTPN1 P18031 1/20 0.45
SQOR Q9Y6N5 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6608193 0.91 SYK (0.52) JAK2JAK3ALDH1A1SMN1; SMN2NPC1
SCHEMBL29518802 0.83 ALDH1A1 (0.55) JAK2JAK3ALDH1A1SMN1; SMN2NPC1
SCHEMBL619334 0.83 ALDH1A1 (0.55) JAK2JAK3ALDH1A1SMN1; SMN2NPC1
SCHEMBL8940603 0.83 ERN1 (0.51) JAK2JAK3SMN1; SMN2NPC1RAB9A
SCHEMBL29386715 0.81 KDM4E (0.59) SMN1; SMN2TP53L3MBTL1BACE1SYK
SCHEMBL6609680 0.80 KCNH2 (0.53) SYKPTPRCPTPN1SQORPGR
SCHEMBL3347567 0.79 HTR7 (0.47) JAK2JAK3ALDH1A1SMN1; SMN2NPC1
SCHEMBL30997630 0.79 MAPT (0.45) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL30136447 0.79 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL294721 0.79 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2NPC1TP53RAB9A

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-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2008-07-31 US disclosed
US-7365095-B2 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-04-29 US disclosed
EP-1874756-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF Wyeth (US) 2008-01-09 EP disclosed
US-20060258714-A1 Chromane and chromene derivatives and uses thereof WYETH (US) 2006-11-16 US disclosed
WO-2006116165-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 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 (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-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF HTR1A, HTR2C, CHRM1 JAK2 1896/4885JAK3 1842/4885ALDH1A1 2512/4885
US-20060258714-A1 Chromane and chromene derivatives and uses thereof HTR1A, HTR2C, CHRM1 JAK2 1896/4885JAK3 1842/4885ALDH1A1 2512/4885

“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.