SCHEMBL2780484

SCHEMBL2780484

O=C(OCC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.61
PRMT6 Q96LA8 1/20 0.61
DRD2 P14416 1/20 0.57
DRD4 P21917 1/20 0.57
RAB9A P51151 1/20 0.56
ACHE P22303 1/20 0.56
CHRNB2 P17787 2/20 0.53
CHRNA4 P43681 2/20 0.53
CHRNA5 P30532 1/20 0.53
CHRNA7 P36544 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53

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
SCHEMBL3678120 0.86 HDAC3 (0.57) RAB9AACHEHDAC3HDAC4HDAC1
SCHEMBL8447322 0.84 CARM1 (0.61) CARM1PRMT6DRD2DRD4RAB9A
SCHEMBL532785 0.84 CARM1 (0.61) CARM1PRMT6DRD2DRD4RAB9A
SCHEMBL9928308 0.84 ACHE (0.62) RAB9AACHEHDAC3HDAC4HDAC1
SCHEMBL11394317 0.82 KCNA5 (0.58) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL9633319 0.81 HPGD (0.57) CARM1PRMT6RAB9AL3MBTL1HPGD
SCHEMBL4209884 0.81 KDM4E (0.65) CARM1PRMT6DRD2DRD4RAB9A
SCHEMBL27657266 0.81 CARM1 (0.70) CARM1PRMT6DRD2DRD4RAB9A
SCHEMBL25445958 0.81 CARM1 (0.58) CARM1PRMT6DRD2DRD4CHRNB2
SCHEMBL22005207 0.81 CARM1 (0.58) CARM1PRMT6DRD2DRD4CHRNB2

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-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-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-09-30 US disclosed
EP-2196451-A1 ACYLATION REACTION OF HYDROXYL GROUP Takasago International Corporation (JP) 2010-06-16 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 (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 CARM1 649/4885PRMT6 1794/4885DRD2 1806/4885
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP ADH5, ADH1A, ACADM CARM1 649/4885PRMT6 1794/4885DRD2 1806/4885

“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.