SCHEMBL19283117

SCHEMBL19283117

CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)NCC(=O)NCC(=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 0.65
▸ LMNA P02545 1/20 0.65
▸ TDP1 Q9NUW8 6/20 0.61
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ CYP2D6 P10635 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ PDK1 Q15118 1/20 0.56
▸ PDK2 Q15119 1/20 0.56
▸ PDK3 Q15120 1/20 0.56
▸ PDK4 Q16654 1/20 0.56

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
SCHEMBL19283114 0.96 KARS1 (0.74) KARS1RXRACCNE1CDK2RXRB
SCHEMBL19283118 0.89 CCNE1 (0.61) KARS1RXRACCNE1CDK2RXRB
SCHEMBL19283122 0.87 KARS1 (0.68) KARS1RXRACCNE1CDK2RXRB
SCHEMBL20856826 0.87 KARS1 (0.71) KARS1RXRACCNE1CDK2RXRB
SCHEMBL20856832 0.86 KARS1 (0.67) KARS1RXRACCNE1CDK2RXRB
SCHEMBL20856811 0.85 KARS1 (0.69) KARS1RXRACCNE1CDK2RXRB
SCHEMBL22273253 0.85 KARS1 (0.65) KARS1RXRACCNE1CDK2RXRB
SCHEMBL11697145 0.84 KARS1 (0.70) KARS1RXRACCNE1CDK2RXRB
SCHEMBL20856953 0.84 KARS1 (0.65) KARS1RXRACCNE1CDK2RXRB
SCHEMBL20866409 0.83 KARS1 (0.68) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247409-A1 ABIETANE-TYPE DITERPENOIDS UNIVERSITY OF HELSINKI (FI) 2017-08-31 — — US disclosed
US-20170247409-A1 ABIETANE-TYPE DITERPENOIDS UNIVERSITY OF HELSINKI (FI) 2017-08-31 — — US disclosed
US-20170247409-A1 ABIETANE-TYPE DITERPENOIDS UNIVERSITY OF HELSINKI (FI) 2017-08-31 — — 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-20170247409-A1 ABIETANE-TYPE DITERPENOIDS CROCC, ROS1, RDX KARS1 3008/4885RXRA 571/4885CCNE1 4036/4885

“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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