SCHEMBL4621728

SCHEMBL4621728

Oc1ccc(F)cc1-c1ccccc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
BCL2L1 Q07817 1/20 0.54
HSD17B10 Q99714 1/20 0.54
BACE1 P56817 2/20 0.50
APP P05067 1/20 0.45
ALOX5 P09917 2/20 0.44
IDO1 P14902 2/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PELI1 Q96FA3 1/20 0.41

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
SCHEMBL617207 0.90 BACE1 (0.62) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL30146622 0.90 BACE1 (0.62) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL27790650 0.85 BACE1 (0.56) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL30997630 0.84 MAPT (0.45) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL31549500 0.84 NPC1 (0.48) ALDH1A1HPGDBCL2L1HSD17B10APP
SCHEMBL31349669 0.84 NPC1 (0.48) ALDH1A1HPGDBCL2L1HSD17B10APP
SCHEMBL5933395 0.83 PTGER1 (0.53) ALDH1A1HPGDHSD17B10LMNAMEN1
SCHEMBL2080342 0.81 BACE1 (0.75) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL8059885 0.81 IDO1 (0.57) ALDH1A1HPGDHSD17B10IDO1NPC1
SCHEMBL8183 0.80 CA9 (0.46) HPGDIDO1NPC1MAPTSMN1; SMN2

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 ALDH1A1 2512/4885HPGD 2104/4885BCL2L1 4525/4885
US-20060258714-A1 Chromane and chromene derivatives and uses thereof HTR1A, HTR2C, CHRM1 ALDH1A1 2512/4885HPGD 2104/4885BCL2L1 4525/4885

“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.