SCHEMBL19301040

SCHEMBL19301040

COc1ccc(-c2cc(C)cc(-c3ccc(OC)cc3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.61
ABCB1 P08183 4/20 0.61
BCR P11274 4/20 0.61
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
TP53 P04637 1/20 0.59
MAPK1 P28482 1/20 0.59
CASP3 P42574 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
ACHE P22303 1/20 0.56
ESR2 Q92731 1/20 0.54
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA12 O43570 1/20 0.52
CA14 Q9ULX7 1/20 0.52

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
SCHEMBL25485549 0.96 ACHE (0.65) ABL1ABCB1BCRNPC1RAB9A
SCHEMBL20111194 0.95 MAPK1 (0.59) ABL1ABCB1BCRNPC1RAB9A
SCHEMBL3743494 0.90 ABL1 (0.71) ABL1ABCB1BCRNPC1RAB9A
SCHEMBL920933 0.90 ABL1 (0.71) ABL1ABCB1BCRNPC1RAB9A
SCHEMBL20022095 0.86 ABL1 (0.72) ABL1ABCB1BCRNPC1RAB9A
SCHEMBL17922686 0.86 NPC1 (0.50) ABL1ABCB1BCRNPC1RAB9A
SCHEMBL20022136 0.83 ABL1 (0.69) ABL1ABCB1BCRNPC1RAB9A
SCHEMBL20022108 0.83 ABL1 (0.69) ABL1ABCB1BCRNPC1RAB9A
SCHEMBL12714843 0.82 ACHE (0.83) ABL1ABCB1BCRNPC1RAB9A
SCHEMBL3676881 0.82 ACHE (0.83) ABL1ABCB1BCRNPC1RAB9A

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-10836706-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-11-17 US disclosed
US-20190055188-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2019-02-21 US disclosed
WO-2017147335-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-31 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 (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-10836706-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 ABL1 1889/4885ABCB1 2/4885BCR 1002/4885
US-20190055188-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 ABL1 1889/4885ABCB1 2/4885BCR 1002/4885

“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.