SCHEMBL18924126

SCHEMBL18924126

COC(=O)C1CCC(C(=O)NCC(=O)NCC(=O)NCC(=O)Nc2cc(CO)cc(CO)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
POLB P06746 2/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.36
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35

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
SCHEMBL17570905 1.00 ALDH1A1 (0.48) ALDH1A1POLBHTTHSD17B10SMN1; SMN2
SCHEMBL22064351 0.89 ALDH1A1 (0.47) ALDH1A1POLBHTTHSD17B10SMN1; SMN2
SCHEMBL17570907 0.89 ALDH1A1 (0.47) ALDH1A1POLBHTTHSD17B10SMN1; SMN2
SCHEMBL22064568 0.85 ALDH1A1 (0.66) ALDH1A1POLBHTTSMN1; SMN2
SCHEMBL22987302 0.77 KDM4E (0.38) ALDH1A1POLBKDM4E
SCHEMBL18924125 0.75 PSMB5 (0.41) ALDH1A1POLBHTTSMN1; SMN2MTNR1A
SCHEMBL17570904 0.75 PSMB5 (0.41) ALDH1A1POLBHTTSMN1; SMN2MTNR1A
SCHEMBL17570931 0.73 RECQL (0.47)
SCHEMBL22064051 0.72 TERT (0.52) ALDH1A1POLB
SCHEMBL18924053 0.70 PSMB5 (0.38) ALDH1A1HTTHSD17B10SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233697-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2023-07-27 US disclosed
US-11116845-B2 Cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2021-09-14 US disclosed
EP-3778601-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2021-02-17 EP disclosed
US-20200405870-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2020-12-31 US disclosed
US-10722588-B2 Cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2020-07-28 US disclosed
EP-3189056-B1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2020-06-10 EP disclosed
US-20190269786-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2019-09-05 US disclosed
US-10238751-B2 Cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2019-03-26 US disclosed
US-20170340748-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2017-11-30 US disclosed
US-9669102-B2 Cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2017-06-06 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 (7 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-10238751-B2 Cytotoxic benzodiazepine derivatives GABRA6, GABBR1, GABRA5 ALDH1A1 695/4885POLB 2910/4885HTT 3818/4885
US-11116845-B2 Cytotoxic benzodiazepine derivatives GABRA6, GABBR1, GABRA5 ALDH1A1 695/4885POLB 2910/4885HTT 3818/4885
US-20200405870-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 ALDH1A1 695/4885POLB 2910/4885HTT 3818/4885
US-20230233697-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 ALDH1A1 695/4885POLB 2910/4885HTT 3818/4885
US-10722588-B2 Cytotoxic benzodiazepine derivatives GABRA6, GABBR1, GABRA5 ALDH1A1 695/4885POLB 2910/4885HTT 3818/4885
US-20190269786-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 ALDH1A1 695/4885POLB 2910/4885HTT 3818/4885
US-20170340748-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 ALDH1A1 695/4885POLB 2910/4885HTT 3818/4885

“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.