SCHEMBL16562157

SCHEMBL16562157

COc1ccc(CCNC(=O)NC(=O)c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.67
▸ FPR2 P25090 1/20 0.62
▸ PTPN1 P18031 1/20 0.57
▸ KMT2A Q03164 4/20 0.55
▸ RAB9A P51151 3/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ GAA P10253 1/20 0.54
▸ TAAR1 Q96RJ0 1/20 0.54
▸ PLAAT3 P53816 1/20 0.54
▸ PLAAT5 Q96KN8 1/20 0.54
▸ PLAAT2 Q9NWW9 1/20 0.54
▸ PLAAT4 Q9UL19 1/20 0.54
▸ MAPT P10636 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ ALOX12 P18054 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53

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
SCHEMBL16562279 0.92 ALDH1A1 (0.69) ALDH1A1FPR2PTPN1KMT2ARAB9A
SCHEMBL16562224 0.91 ALDH1A1 (0.66) ALDH1A1FPR2KMT2ARAB9ANPC1
SCHEMBL16562134 0.90 ALDH1A1 (0.67) ALDH1A1FPR2PTPN1KMT2ARAB9A
SCHEMBL16562195 0.90 ALDH1A1 (0.67) ALDH1A1FPR2PTPN1KMT2ARAB9A
SCHEMBL16562153 0.90 ALDH1A1 (0.63) ALDH1A1FPR2PTPN1KMT2ARAB9A
SCHEMBL16562231 0.89 MEN1 (0.54) ALDH1A1KMT2ARAB9ANPC1GAA
SCHEMBL16562211 0.89 ALDH1A1 (0.64) ALDH1A1FPR2KMT2ARAB9ANPC1
SCHEMBL16562288 0.88 FPR2 (0.66) ALDH1A1FPR2PTPN1KMT2ARAB9A
SCHEMBL16562199 0.88 FPR2 (0.73) ALDH1A1FPR2KMT2ARAB9ANPC1
SCHEMBL16562202 0.88 ALDH1A1 (0.67) ALDH1A1FPR2KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 — — US disclosed
US-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 — — US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 — — US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 — — US disclosed
WO-2015035051-A1 METHODS AND COMPOSITIONS FOR SELECTIVE AND TARGETED CANCER THERAPY BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-03-12 — — 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-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy NCOA4, SREBF1, ACOX1 ALDH1A1 88/4885FPR2 2631/4885PTPN1 2842/4885

“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