SCHEMBL20856766

SCHEMBL20856766

CC(C)c1ccc2c(c1)CCC1[C@](C)(/C=C/C(=O)O)CCC[C@]21C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 4/20 0.69
▸ RXRA P19793 1/20 0.69
▸ CCNE1 P24864 1/20 0.69
▸ CDK2 P24941 1/20 0.69
▸ RXRB P28702 1/20 0.69
▸ RXRG P48443 1/20 0.69
▸ CYP3A4 P08684 4/20 0.64
▸ LMNA P02545 1/20 0.64
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ CYP2D6 P10635 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ TSHR P16473 2/20 0.58
▸ PDK1 Q15118 1/20 0.58
▸ PDK2 Q15119 1/20 0.58
▸ PDK3 Q15120 1/20 0.58
▸ PDK4 Q16654 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58

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
Fumaric Acid SCHEMBL15389008 0.86 KARS1 (0.57) KARS1RXRACCNE1CDK2RXRB
Fumaric Acid SCHEMBL2728217 0.86 KARS1 (0.57) KARS1RXRACCNE1CDK2RXRB
Fumaric Acid SCHEMBL2728216 0.86 KARS1 (0.57) KARS1RXRACCNE1CDK2RXRB
Fumaric Acid SCHEMBL2727847 0.86 KARS1 (0.56) KARS1RXRACCNE1CDK2RXRB
Fumaric Acid SCHEMBL2727848 0.86 KARS1 (0.56) KARS1RXRACCNE1CDK2RXRB
Fumaric Acid SCHEMBL2728615 0.86 KARS1 (0.56) KARS1RXRACCNE1CDK2RXRB
Dehydroabietinal SCHEMBL2728308 0.85 KARS1 (0.67) KARS1RXRACCNE1CDK2RXRB
Dehydroabietinal SCHEMBL20866441 0.85 KARS1 (0.67) KARS1RXRACCNE1CDK2RXRB
Dehydroabietinal SCHEMBL2728310 0.85 KARS1 (0.67) KARS1RXRACCNE1CDK2RXRB
Dehydroabietinal SCHEMBL13660121 0.85 KARS1 (0.67) KARS1RXRACCNE1CDK2RXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3687521-A1 NEW DERIVATES OF DHAA WITH ELECTROSTATIC TUNING Elinder, Fredrik (SE) 2020-08-05 — — EP disclosed
US-20200239412-A1 NEW DERIVATES OF DHAA WITH ELECTROSTATIC TUNING ELINDER FREDRIK (SE) 2020-07-30 — — US disclosed
US-20200239412-A1 NEW DERIVATES OF DHAA WITH ELECTROSTATIC TUNING ELINDER FREDRIK (SE) 2020-07-30 — — US disclosed
WO-2019066711-A1 NEW DERIVATES OF DHAA WITH ELECTROSTATIC TUNING ELINDER FREDRIK (SE) 2019-04-04 — — WO disclosed
WO-2019066711-A1 NEW DERIVATES OF DHAA WITH ELECTROSTATIC TUNING ELINDER FREDRIK (SE) 2019-04-04 — — 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-20200239412-A1 NEW DERIVATES OF DHAA WITH ELECTROSTATIC TUNING GRIN2B, ALOX15, GRIN2A KARS1 3065/4885RXRA 1372/4885CCNE1 2460/4885

“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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