SCHEMBL1044760

SCHEMBL1044760

CCCCCCCCOc1ccc(CN2CCN(Cc3ccc(OCCCCCCCC)cc3)CCN(Cc3ccc(OCCCCCCCC)cc3)CC2)cc1

nearest known ligand 0.91

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.91
NPC1 O15118 3/20 0.91
TP53 P04637 2/20 0.88
HPGD P15428 1/20 0.88
MEN1 O00255 2/20 0.81
KMT2A Q03164 2/20 0.81
GAA P10253 1/20 0.81
TSHR P16473 1/20 0.77
ALDH1A1 P00352 2/20 0.73
S1PR5 Q9H228 10/20 0.69
CYP2D6 P10635 1/20 0.68
S1PR1 P21453 6/20 0.64
S1PR3 Q99500 4/20 0.64
LTA4H P09960 1/20 0.62

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
SCHEMBL1046370 0.95 TSHR (0.84) RAB9ANPC1TP53HPGDMEN1
SCHEMBL24514228 0.94 RAB9A (1.00) RAB9ANPC1TP53HPGDMEN1
SCHEMBL3027800 0.94 TSHR (0.88) RAB9ANPC1TP53HPGDMEN1
SCHEMBL3037458 0.94 TSHR (0.82) RAB9ANPC1TP53HPGDMEN1
SCHEMBL3041996 0.92 TSHR (0.91) RAB9ANPC1TP53HPGDMEN1
SCHEMBL22794496 0.90 RAB9A (0.75) RAB9ANPC1TP53HPGDMEN1
SCHEMBL22790780 0.90 RAB9A (0.75) RAB9ANPC1TP53HPGDMEN1
SCHEMBL24514290 0.90 RAB9A (0.75) RAB9ANPC1TP53HPGDMEN1
SCHEMBL18182312 0.89 RAB9A (0.91) RAB9ANPC1TP53HPGDMEN1
SCHEMBL22790779 0.88 RAB9A (0.72) RAB9ANPC1TP53HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2269995-B1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST DAINIPPON INK & CHEMICALS (JP) 2012-12-12 EP disclosed
US-8017706-B2 Process for production of polymers with iron complex catalyst DIC CORPORATION (JP) 2011-09-13 US disclosed
US-8017706-B2 Process for production of polymers with iron complex catalyst DIC CORPORATION (JP) 2011-09-13 US disclosed
US-20110105703-A1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST DIC Corporatio (JP) 2011-05-05 US disclosed
US-20110105703-A1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST DIC Corporatio (JP) 2011-05-05 US disclosed
EP-2269995-A1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST DIC Corporation (JP) 2011-01-05 EP 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 (1 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-20110105703-A1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST TFRC, FECH, FTH1 RAB9A 3391/4885NPC1 4475/4885TP53 4857/4885

“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.