SCHEMBL8737871

SCHEMBL8737871

CC(=O)COC1(C)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ CACNA2D1 P54289 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL31213025 0.83 CYP1A2 (0.41) CYP19A1ALDH1A1SMN1; SMN2USP2LMNA
SCHEMBL31213026 0.80 CYP1A2 (0.38) CYP19A1ALDH1A1SMN1; SMN2USP2LMNA
SCHEMBL26349402 0.78 CYP19A1 (0.30) CYP19A1
SCHEMBL22954505 0.76 — —
SCHEMBL18074854 0.76 TSHR (0.33) CYP19A1ALDH1A1SMN1; SMN2USP2LMNA
SCHEMBL28154094 0.75 CYP19A1 (0.32) CYP19A1
SCHEMBL8738806 0.74 MME (0.31) —
SCHEMBL28155012 0.72 CYP19A1 (0.30) CYP19A1
SCHEMBL19068247 0.72 — —
SCHEMBL27960370 0.71 CES1 (0.35) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695240-B2 Anthracycline derivative conjugates, process for their preparation and their use as antitumor compounds GENENTECH, INC. (US) 2017-07-04 — — US disclosed
US-9695240-B2 Anthracycline derivative conjugates, process for their preparation and their use as antitumor compounds GENENTECH, INC. (US) 2017-07-04 — — US disclosed
US-20150051380-A1 ANTHRACYCLINE DERIVATIVE CONJUGATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR COMPOUNDS GENENTECH, INC. (US) 2015-02-19 — — US disclosed
US-20150051380-A1 ANTHRACYCLINE DERIVATIVE CONJUGATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR COMPOUNDS GENENTECH, INC. (US) 2015-02-19 — — US disclosed
US-8900589-B2 Anthracycline derivative conjugates, process for their preparation and their use as antitumor compounds GENETECH, INC. (US) 2014-12-02 — — US disclosed
US-8900589-B2 Anthracycline derivative conjugates, process for their preparation and their use as antitumor compounds GENETECH, INC. (US) 2014-12-02 — — US disclosed
US-8389697-B2 Anthracycline derivative conjugates, process for their preparation and their use as antitumor compounds GENENTECH, INC. (US) 2013-03-05 — — US disclosed
US-8389697-B2 Anthracycline derivative conjugates, process for their preparation and their use as antitumor compounds GENENTECH, INC. (US) 2013-03-05 — — US disclosed
US-20120130059-A1 ANTHRACYCLINE DERIVATIVE CONJUGATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR COMPOUNDS BERIA ITALO (IT) 2012-05-24 — — US disclosed
US-20120130059-A1 ANTHRACYCLINE DERIVATIVE CONJUGATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR COMPOUNDS BERIA ITALO (IT) 2012-05-24 — — US disclosed
US-20100034837-A1 ANTHRACYCLINE DERIVATIVE CONJUGATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR COMPOUNDS GENENTECH, INC. 2010-02-11 — — US disclosed
US-20100034837-A1 ANTHRACYCLINE DERIVATIVE CONJUGATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR COMPOUNDS GENENTECH, INC. 2010-02-11 — — 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 (3 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-20150051380-A1 ANTHRACYCLINE DERIVATIVE CONJUGATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR COMPOUNDS MRPL21, BCR, MYD88 CYP19A1 2097/4885ALDH1A1 2716/4885SMN1; SMN2 3239/4885
US-20100034837-A1 ANTHRACYCLINE DERIVATIVE CONJUGATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR COMPOUNDS MRPL21, BCR, MYD88 CYP19A1 2097/4885ALDH1A1 2716/4885SMN1; SMN2 3239/4885
US-20120130059-A1 ANTHRACYCLINE DERIVATIVE CONJUGATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR COMPOUNDS MRPL21, BCR, MYD88 CYP19A1 2097/4885ALDH1A1 2716/4885SMN1; SMN2 3239/4885

“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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