SCHEMBL2603460

SCHEMBL2603460

COC(=O)C1(C)CCCC2(C)c3cc(CCCCO)c(C(C)C)cc3CCC12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABHD16A O95870 2/20 0.58
SOD1 P00441 1/20 0.56
POLA1 P09884 4/20 0.54
NR1I2 O75469 1/20 0.52
OPRK1 P41145 1/20 0.52
CYP3A4 P08684 3/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NR1H2 P55055 5/20 0.48
NR1H3 Q13133 5/20 0.48
KARS1 Q15046 2/20 0.46
RXRA P19793 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
RXRB P28702 1/20 0.46

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
SCHEMBL2603461 0.90 ABHD16A (0.57) ABHD16ASOD1POLA1NR1I2OPRK1
SCHEMBL14651901 0.89 ABHD16A (0.64) ABHD16ASOD1POLA1NR1I2OPRK1
SCHEMBL14648817 0.85 ABHD16A (0.60) ABHD16ASOD1POLA1NR1I2OPRK1
SCHEMBL2603436 0.84 ABHD16A (0.61) ABHD16ASOD1POLA1NR1I2OPRK1
SCHEMBL2603471 0.84 NR1I2 (0.52) ABHD16ASOD1POLA1NR1I2OPRK1
SCHEMBL15342888 0.83 ABHD16A (0.75) ABHD16ASOD1POLA1NR1I2OPRK1
SCHEMBL14648822 0.83 KARS1 (0.60) POLA1NR1I2OPRK1CYP3A4MAPT
SCHEMBL2603469 0.82 ABHD16A (0.55) ABHD16ASOD1POLA1NR1I2OPRK1
SCHEMBL14651865 0.81 ABHD16A (0.62) ABHD16ASOD1POLA1NR1I2OPRK1
SCHEMBL15339329 0.81 NR1H2 (0.52) ABHD16ASOD1POLA1NR1I2OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101250-A1 NOVEL DEHYDROABIETIC ACID POLYMER FUJIFILM CORPORATION (JP) 2012-04-26 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-20120101250-A1 NOVEL DEHYDROABIETIC ACID POLYMER DPAGT1, DDOST, ALAD ABHD16A 73/4885SOD1 4636/4885POLA1 1710/4885

“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.