SCHEMBL20360585

SCHEMBL20360585

CO/N=C1/CC2[C@](C)(C(=O)O)CCC[C@]2(C)c2cc(Br)c(C(C)C)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ KARS1 Q15046 2/20 0.42
▸ RXRA P19793 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ POLA1 P09884 4/20 0.40
▸ ABHD16A O95870 2/20 0.37
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ GGPS1 O95749 1/20 0.36
▸ FDPS P14324 1/20 0.36

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
SCHEMBL20359899 1.00 CYP3A4 (0.43) CYP3A4MAPTALDH1A1ALOX15NR1I2
SCHEMBL20360586 1.00 CYP3A4 (0.43) CYP3A4MAPTALDH1A1ALOX15NR1I2
SCHEMBL17927254 0.89 NR1I2 (0.45) CYP3A4MAPTALDH1A1ALOX15NR1I2
SCHEMBL17927255 0.89 NR1I2 (0.45) CYP3A4MAPTALDH1A1ALOX15NR1I2
SCHEMBL17927279 0.89 NR1I2 (0.43) CYP3A4MAPTALDH1A1ALOX15NR1I2
SCHEMBL17927200 0.89 NR1I2 (0.43) CYP3A4MAPTALDH1A1ALOX15NR1I2
SCHEMBL17927238 0.89 NR1I2 (0.43) CYP3A4MAPTALDH1A1ALOX15NR1I2
SCHEMBL17927201 0.89 NR1I2 (0.43) CYP3A4MAPTALDH1A1ALOX15NR1I2
SCHEMBL17927239 0.89 NR1I2 (0.43) CYP3A4MAPTALDH1A1ALOX15NR1I2
SCHEMBL17927277 0.89 NR1I2 (0.43) CYP3A4MAPTALDH1A1ALOX15NR1I2

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-20180193294-A1 Dehydroabietic acid (DHAA) derivatives for use as ion channel openers ELINDER FREDRIK (SE) 2018-07-12 — — 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-20180193294-A1 Dehydroabietic acid (DHAA) derivatives for use as ion channel openers KCNAB1, KCNA1, KCNE1 CYP3A4 2080/4885MAPT 4019/4885ALDH1A1 1486/4885

“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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