SCHEMBL4400574

SCHEMBL4400574

CC1CCC(c2ccc([O])cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.63
POLB P06746 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
CYP2C9 P11712 2/20 0.35
ESR1 P03372 1/20 0.35
CYP3A4 P08684 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C1 Q04828 1/20 0.34
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NOTUM Q6P988 1/20 0.33
SLC2A1 P11166 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC1 Q13547 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL11196166 0.88 ESR2 (0.77) ESR2POLBRAB9ANPC1CYP2C9
SCHEMBL2094892 0.88 ESR2 (0.46) ESR2POLBRAB9ANPC1CYP2C9
SCHEMBL11187392 0.81 ESR2 (0.68) ESR2POLBRAB9ANPC1CYP2C9
SCHEMBL11187396 0.81 ESR2 (0.68) ESR2POLBRAB9ANPC1CYP2C9
SCHEMBL24597681 0.79 ESR2 (0.65) ESR2POLBRAB9ACYP2C9ESR1
SCHEMBL19937427 0.79 ESR2 (0.65) ESR2POLBRAB9ACYP2C9ESR1
SCHEMBL2097659 0.78 HDAC8 (0.50) ESR2RAB9AHDAC8HDAC6LMNA
SCHEMBL2094841 0.78 ESR2 (0.47) ESR2CYP2C9ESR1CYP3A4HDAC8
SCHEMBL7752607 0.77 ESR2 (0.63) ESR2POLBCYP2C9ESR1CYP3A4
SCHEMBL17866598 0.77 ESR2 (1.00) ESR2CYP2C9ESR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 ESR2 2909/4885POLB 3906/4885RAB9A 1183/4885

“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.