SCHEMBL22216691

SCHEMBL22216691

CC(C)c1ccc2c(c1)CCC1[C@@]2(C)CCC[C@]1(C)C(=O)NCCCCCCN

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.70
▸ CYP3A4 P08684 4/20 0.67
▸ LMNA P02545 1/20 0.67
▸ KARS1 Q15046 3/20 0.65
▸ RXRA P19793 1/20 0.65
▸ CCNE1 P24864 1/20 0.65
▸ CDK2 P24941 1/20 0.65
▸ RXRB P28702 1/20 0.65
▸ RXRG P48443 1/20 0.65
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ TSHR P16473 2/20 0.61
▸ CYP2D6 P10635 2/20 0.61
▸ CYP2C19 P33261 2/20 0.61
▸ PDK1 Q15118 1/20 0.61
▸ PDK2 Q15119 1/20 0.61
▸ PDK3 Q15120 1/20 0.61
▸ PDK4 Q16654 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ MAPK1 P28482 2/20 0.60

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
SCHEMBL22201510 0.92 TDP1 (0.71) TDP1CYP3A4LMNAKARS1RXRA
SCHEMBL11479109 0.92 TDP1 (0.71) TDP1CYP3A4LMNAKARS1RXRA
SCHEMBL22216690 0.90 TDP1 (0.68) TDP1CYP3A4LMNAKARS1RXRA
SCHEMBL20856932 0.89 TDP1 (0.67) TDP1CYP3A4LMNAKARS1RXRA
SCHEMBL20856811 0.88 KARS1 (0.69) TDP1CYP3A4LMNAKARS1RXRA
SCHEMBL20856814 0.86 KARS1 (0.66) TDP1CYP3A4LMNAKARS1RXRA
SCHEMBL20856826 0.86 KARS1 (0.71) TDP1CYP3A4LMNAKARS1RXRA
SCHEMBL20856953 0.85 KARS1 (0.65) TDP1CYP3A4LMNAKARS1RXRA
SCHEMBL19283114 0.84 KARS1 (0.74) TDP1CYP3A4LMNAKARS1RXRA
SCHEMBL2675571 0.84 CYP3A4 (0.78) TDP1CYP3A4LMNAKARS1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352317-B2 Rosin-based small molecular weight hydrogelator and its application JIANGNAN UNIVERSITY (CN) 2022-06-07 — — US disclosed
US-20200223789-A1 Rosin-based small molecular weight hydrogelator and its application JIANGNAN UNIVERSITY (CN) 2020-07-16 — — 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 (2 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-20200223789-A1 Rosin-based small molecular weight hydrogelator and its application PADI6, CD44, DBN1 TDP1 3634/4885CYP3A4 3320/4885LMNA 3900/4885
US-11352317-B2 Rosin-based small molecular weight hydrogelator and its application PADI6, CD44, DBN1 TDP1 3634/4885CYP3A4 3320/4885LMNA 3900/4885

“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.

Send feedback