SCHEMBL1347633

SCHEMBL1347633

CCOP(=O)(CC(=O)c1cc2ccccc2s1)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
RAB9A P51151 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
BCL2L1 Q07817 1/20 0.49
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
PIN1 Q13526 2/20 0.44
SLC9A1 P19634 2/20 0.43
NAMPT P43490 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
OPRM1 P35372 1/20 0.42

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
SCHEMBL6334117 0.78 BCL2L1 (0.62) HDAC3HDAC1HDAC2RAB9AHDAC4
SCHEMBL12123735 0.75 BCL2L1 (0.59) HDAC3HDAC1HDAC2RAB9AHDAC4
SCHEMBL5160945 0.75 HDAC3 (0.53) HDAC3HDAC1HDAC2RAB9AHDAC4
SCHEMBL1347826 0.75 NPC1 (0.53) RAB9ACNR1CNR2
SCHEMBL8290959 0.74 CYP2A6 (0.47) HDAC3HDAC1HDAC2RAB9AHDAC4
SCHEMBL4405770 0.74 BCL2L1 (0.57) HDAC3HDAC1HDAC2RAB9AHDAC4
SCHEMBL29913871 0.74 BCL2L1 (0.57) HDAC3HDAC1HDAC2RAB9AHDAC4
SCHEMBL25411197 0.74 BCL2L1 (0.47) HDAC3HDAC1HDAC2RAB9AHDAC4
SCHEMBL31130328 0.73 RAB9A (0.50) HDAC3HDAC1HDAC2RAB9AHDAC4
SCHEMBL28118458 0.73 BCL2L1 (0.65) HDAC3HDAC1HDAC2RAB9AHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063240-B2 Prostaglandin E1 and E2 analogs for the treatment of various medical conditions CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2011-11-22 US disclosed
US-20090221654-A1 PROSTAGLANDIN E1 AND E2 ANALOGS FOR THE TREATMENT OF VARIOUS MEDICAL CONDITIONS CAYMAN CHEMICAL COMPANY (US) 2009-09-03 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 (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-20090221654-A1 PROSTAGLANDIN E1 AND E2 ANALOGS FOR THE TREATMENT OF VARIOUS MEDICAL CONDITIONS PTGER1, PTGER4, PTGER2 HDAC3 4044/4885HDAC1 3381/4885HDAC2 2609/4885

“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.