SCHEMBL10102302

SCHEMBL10102302

CC1(C)c2cc(F)ccc2-c2c1c1c(c3ccccc23)OC(c2ccc(F)cc2)(c2ccc(N3CCCCC3)cc2)C=C1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 3/20 0.31
TP53 P04637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD11B1 P28845 1/20 0.30
CHRM5 P08912 1/20 0.30

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
SCHEMBL25603694 0.97 HSD11B1 (0.33) MAPTHSD11B1
SCHEMBL25844095 0.94 MAPT (0.34) NPC1RAB9AMAPTKDM4E
SCHEMBL25603872 0.94 PIK3CA (0.33) NPC1RAB9AMAPTTP53KDM4E
SCHEMBL3147166 0.94 NPC1 (0.33) NPC1RAB9AMAPTTP53KDM4E
SCHEMBL3141410 0.94 NPC1 (0.33) NPC1RAB9AMAPTTP53KDM4E
SCHEMBL3150887 0.93 HSD11B1 (0.31) HSD11B1
SCHEMBL4040445 0.93 PGR (0.33) NPC1RAB9AMAPTTP53KDM4E
SCHEMBL25603169 0.93 NPC1 (0.31) NPC1RAB9A
SCHEMBL4696184 0.93 NPC1 (0.32) NPC1RAB9AMAPTTP53KDM4E
SCHEMBL25601409 0.93 PDK2 (0.31) NPC1RAB9AMAPTTP53ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8308995-B2 Chromene compound TOKUYAMA CORPORATION (JP) 2012-11-13 US disclosed
US-20120138876-A1 CHROMENE COMPOUND KASAI SOKO (JP) 2012-06-07 US disclosed
US-8147726-B2 Chromene compound TOKUYAMA CORPORATION (JP) 2012-04-03 US disclosed
US-20110062396-A1 CHROMENE COMPOUND TOKUYAMA CORPORATION (JP) 2011-03-17 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-20120138876-A1 CHROMENE COMPOUND CHRM1, CBX8, CBX7 NPC1 1130/4885RAB9A 1112/4885MAPT 3134/4885
US-20110062396-A1 CHROMENE COMPOUND CDYL, NR0B1, NR1H2 NPC1 809/4885RAB9A 841/4885MAPT 4740/4885

“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.