SCHEMBL17927244

SCHEMBL17927244

CC(C)c1cc2c(cc1I)[C@@]1(C)CCC[C@@](C)(C(=O)O)C1C/C2=N\O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ KARS1 Q15046 2/20 0.44
▸ RXRA P19793 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ RXRB P28702 1/20 0.44
▸ RXRG P48443 1/20 0.44
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ CYP3A4 P08684 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ POLA1 P09884 4/20 0.38
▸ PDE4D Q08499 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ LMNA P02545 2/20 0.35
▸ NR1H2 P55055 1/20 0.34

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
SCHEMBL20366972 1.00 NR1I2 (0.45) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL17927247 1.00 NR1I2 (0.45) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL17927277 0.89 NR1I2 (0.43) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL17927279 0.89 NR1I2 (0.43) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL17927190 0.88 NR1I2 (0.45) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL17927192 0.88 NR1I2 (0.45) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL17927255 0.88 NR1I2 (0.45) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL20366995 0.88 NR1I2 (0.45) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL17927254 0.88 NR1I2 (0.45) NR1I2OPRK1KARS1RXRACCNE1
SCHEMBL17934301 0.86 ESR1 (0.57) NR1I2OPRK1KARS1RXRACCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180193294-A1 Dehydroabietic acid (DHAA) derivatives for use as ion channel openers ELINDER FREDRIK (SE) 2018-07-12 — — US claimed
US-20180193294-A1 Dehydroabietic acid (DHAA) derivatives for use as ion channel openers ELINDER FREDRIK (SE) 2018-07-12 — — US disclosed
US-20180193294-A1 Dehydroabietic acid (DHAA) derivatives for use as ion channel openers ELINDER FREDRIK (SE) 2018-07-12 — — US disclosed
US-20180193294-A1 Dehydroabietic acid (DHAA) derivatives for use as ion channel openers ELINDER FREDRIK (SE) 2018-07-12 — — US disclosed
EP-3245184-A1 DEHYDROABIETIC ACID (DHAA) DERIVATIVES FOR USE AS ION CHANNEL OPENERS Elinder, Fredrik (SE) 2017-11-22 — — EP disclosed
WO-2016114707-A1 DEHYDROABIETIC ACID (DHAA) DERIVATIVES FOR USE AS ION CHANNEL OPENERS ELINDER FREDRIK (SE) 2016-07-21 — — WO disclosed
WO-2016114707-A1 DEHYDROABIETIC ACID (DHAA) DERIVATIVES FOR USE AS ION CHANNEL OPENERS ELINDER FREDRIK (SE) 2016-07-21 — — WO 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-20180193294-A1 Dehydroabietic acid (DHAA) derivatives for use as ion channel openers KCNAB1, KCNA1, KCNE1 NR1I2 2197/4885OPRK1 660/4885KARS1 1018/4885

“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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