SCHEMBL16649246

SCHEMBL16649246

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(OC)nccc3nc2-1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.75
▸ ALDH1A1 P00352 3/20 0.71
▸ GLA P06280 3/20 0.71
▸ RECQL P46063 2/20 0.71
▸ TDP1 Q9NUW8 2/20 0.71
▸ MEN1 O00255 2/20 0.71
▸ KMT2A Q03164 2/20 0.71
▸ SMN1; SMN2 Q16637 2/20 0.71
▸ KDM4E B2RXH2 3/20 0.70
▸ RAB9A P51151 2/20 0.70
▸ BLM P54132 2/20 0.70
▸ POLB P06746 1/20 0.70
▸ MAPT P10636 1/20 0.70
▸ TP53 P04637 2/20 0.68
▸ HPGD P15428 2/20 0.68
▸ STAT6 P42226 1/20 0.68
▸ CHEK1 O14757 1/20 0.68
▸ HDAC3 O15379 1/20 0.68
▸ ABCC4 O15439 1/20 0.68
▸ GMNN O75496 1/20 0.68

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
SCHEMBL16648942 0.89 TOP1 (0.77) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL16648998 0.88 TOP1 (0.73) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL16812230 0.87 TOP1 (0.57) TOP1ALDH1A1GLARECQLTDP1
Hydrochloric Acid SCHEMBL28012447 0.86 TOP1 (0.97) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL27827045 0.86 TOP1 (1.00) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL1004508 0.86 TOP1 (1.00) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL18296776 0.85 TOP1 (0.78) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL27367949 0.85 TOP1 (0.81) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL8484231 0.85 TOP1 (0.79) TOP1ALDH1A1GLARECQLTDP1
SCHEMBL7262467 0.85 TOP1 (0.79) TOP1ALDH1A1GLARECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458170-B2 Compound of camptothecin and preparation and use thereof YULIANG LI (CN) 2016-10-04 — — US disclosed
US-9458170-B2 Compound of camptothecin and preparation and use thereof YULIANG LI (CN) 2016-10-04 — — US disclosed
US-9458170-B2 Compound of camptothecin and preparation and use thereof YULIANG LI (CN) 2016-10-04 — — US disclosed
US-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (CN) 2015-06-18 — — US disclosed
US-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (CN) 2015-06-18 — — US disclosed
US-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (CN) 2015-06-18 — — US disclosed
EP-2862571-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (MN) 2015-04-22 — — EP disclosed
EP-2862571-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF Li, Yuliang (MN) 2015-04-22 — — EP disclosed
US-20150050714-A1 Acryloyloxyethylphosphorylcholine Containing Polymer Conjugates And Their Preparation OLIGASIS, LLC (US) 2015-02-19 — — 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-20150166559-A1 COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF TOP2A, TOP2B, TYMP TOP1 4/4885ALDH1A1 1386/4885GLA 1438/4885
US-20150050714-A1 Acryloyloxyethylphosphorylcholine Containing Polymer Conjugates And Their Preparation PHOSPHO1, PCTP, SGMS1 TOP1 1015/4885ALDH1A1 2399/4885GLA 2189/4885

“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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