SCHEMBL13169591

SCHEMBL13169591

CCCC(CCC)NC(=O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 14/20 0.70
▸ TAS1R1 Q7RTX1 14/20 0.70
▸ RAB9A P51151 2/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ CTRB1 P17538 2/20 0.57
▸ PRSS1 P07477 1/20 0.57
▸ CTSG P08311 1/20 0.57
▸ CMA1 P23946 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ DRD2 P14416 1/20 0.54

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
SCHEMBL7223871 0.93 TAS1R3 (0.63) TAS1R3TAS1R1RAB9ANPC1CTRB1
SCHEMBL12471407 0.90 TAS1R3 (0.58) TAS1R3TAS1R1RAB9ANPC1CTRB1
SCHEMBL22747924 0.86 PRSS1 (0.59) TAS1R3TAS1R1RAB9ANPC1CTRB1
SCHEMBL165896 0.86 PRSS1 (0.61) TAS1R3TAS1R1RAB9ANPC1CTRB1
SCHEMBL15146792 0.85 HTT (0.68) TAS1R3TAS1R1RAB9ANPC1CTRB1
SCHEMBL21711047 0.84 TAS1R3 (0.73) TAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL1003282 0.84 RAB9A (0.82) TAS1R3TAS1R1RAB9ANPC1CTRB1
SCHEMBL7152139 0.83 TAS1R3 (0.55) TAS1R3TAS1R1RAB9ANPC1CTRB1
SCHEMBL12366265 0.82 NPC1 (0.69) TAS1R3TAS1R1RAB9ANPC1ALDH1A1
SCHEMBL13350409 0.82 TAS1R3 (0.66) TAS1R3TAS1R1

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
US-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-25 — — US disclosed
US-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-25 — — US disclosed
US-8431709-B2 Acylation reaction of hydroxyl group TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-04-30 — — US disclosed
US-8431709-B2 Acylation reaction of hydroxyl group TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-04-30 — — US disclosed
CN-101917980-A Amine derivative compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC 2010-12-15 — — CN disclosed
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-09-30 — — 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-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP ADH5, ADH1A, ACADM TAS1R3 4504/4885TAS1R1 4692/4885RAB9A 3717/4885
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP ADH5, ADH1A, ACADM TAS1R3 4504/4885TAS1R1 4692/4885RAB9A 3717/4885

“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.

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