SCHEMBL17934301

SCHEMBL17934301

CC(C)c1cc2c(cc1I)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.57
▸ ESR2 Q92731 1/20 0.57
▸ CYP3A4 P08684 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ NR1I2 O75469 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ 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
▸ RXRG P48443 1/20 0.46
▸ AR P10275 2/20 0.42
▸ SOD1 P00441 1/20 0.41
▸ FDPS P14324 2/20 0.41
▸ GGPS1 O95749 1/20 0.41
▸ POLA1 P09884 4/20 0.40
▸ PDE4D Q08499 2/20 0.39

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
SCHEMBL17927256 1.00 ESR1 (0.57) ESR1ESR2CYP3A4ALDH1A1MAPT
SCHEMBL17927217 0.87 ESR1 (0.57) ESR1ESR2CYP3A4ALDH1A1MAPT
SCHEMBL20366972 0.86 NR1I2 (0.45) ESR1ESR2CYP3A4ALDH1A1MAPT
SCHEMBL17927247 0.86 NR1I2 (0.45) ESR1ESR2CYP3A4ALDH1A1MAPT
SCHEMBL17927244 0.86 NR1I2 (0.45) ESR1ESR2CYP3A4ALDH1A1MAPT
SCHEMBL17934293 0.85 ESR1 (0.55) ESR1ESR2CYP3A4ALDH1A1MAPT
SCHEMBL17927279 0.84 NR1I2 (0.43) ESR1ESR2CYP3A4ALDH1A1MAPT
SCHEMBL17927277 0.84 NR1I2 (0.43) ESR1ESR2CYP3A4ALDH1A1MAPT
SCHEMBL20364223 0.80 CYP3A4 (0.78) ESR1ESR2CYP3A4ALDH1A1MAPT
SCHEMBL3212768 0.80 CYP3A4 (0.78) ESR1ESR2CYP3A4ALDH1A1MAPT

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-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
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 ESR1 3879/4885ESR2 2780/4885CYP3A4 2080/4885

“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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