SCHEMBL21593840

SCHEMBL21593840

CC(C)CCc1ccc(N2CCCCC2C)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.41
▸ GPR174 Q9BXC1 3/20 0.41
▸ GFER P55789 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ NR1I2 O75469 2/20 0.34
▸ SMARCA2 P51531 2/20 0.34
▸ SMARCA4 P51532 2/20 0.34
▸ NR1H3 Q13133 2/20 0.34
▸ PBRM1 Q86U86 2/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ AR P10275 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL21593837 0.80 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1
SCHEMBL30486440 0.79 THRB (0.47) THRBGPR174GFERMAPTTP53
SCHEMBL21593842 0.79 ALDH1A1 (0.48) MAPTSMN1; SMN2ALDH1A1
SCHEMBL30009870 0.77 MAPT (0.55) THRBGPR174GFERMAPTTP53
SCHEMBL9983954 0.74 GFER (0.63) THRBGPR174GFERMAPTTP53
SCHEMBL24490258 0.71 NPC1 (0.48) TP53SMN1; SMN2LMNAALDH1A1
SCHEMBL13419464 0.71 TP53 (0.47) GFERMAPTTP53LMNANR1I2
SCHEMBL13419745 0.70 GFER (0.57) GFERMAPTTP53LMNAALDH1A1
SCHEMBL9984458 0.69 GPR174 (0.52) THRBGPR174GFERMAPTTP53
SCHEMBL12436729 0.68 ALDH1A1 (0.45) MAPTALDH1A1

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-20220177485-A1 CAMPTOTHECIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF MARINE BIOMEDICAL RESEARCH INSTITUTE OF QINGDAO CO., LTD. (CN) 2022-06-09 — — US disclosed
EP-3808751-A1 CAMPTOTHECIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Marine Biomedical Research Institute Of Qingdao Co., Ltd. (CN) 2021-04-21 — — EP disclosed
WO-2019238046-A1 CAMPTOTHECIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 青岛海洋生物医药研究院股份有限公司 2019-12-19 — — 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-20220177485-A1 CAMPTOTHECIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF WEE1, WASF2, WEE2 THRB 3320/4885GPR174 1459/4885GFER 1632/4885

“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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