SCHEMBL3787430

SCHEMBL3787430

COc1ccc(OC(=O)C2CC2)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
TUBB4A P04350 3/20 0.46
TUBB P07437 3/20 0.46
TUBA3C P0DPH7 3/20 0.46
TUBA1B P68363 3/20 0.46
TUBA4A P68366 3/20 0.46
TUBB4B P68371 3/20 0.46
TUBB3 Q13509 3/20 0.46
TUBB2A Q13885 3/20 0.46
TUBB8 Q3ZCM7 3/20 0.46
TUBA3E Q6PEY2 3/20 0.46
TUBA1A Q71U36 3/20 0.46

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
SCHEMBL18904680 0.96 KMT2A (0.50) ATMKMT2APOLBMEN1MAPT
SCHEMBL10802749 0.94 ATM (0.60) ATMKMT2APOLBMEN1MAPT
SCHEMBL10802417 0.94 KMT2A (0.60) ATMKMT2APOLBMEN1MAPT
SCHEMBL10796854 0.93 POLB (0.61) ATMKMT2APOLBMEN1MAPT
SCHEMBL10803200 0.93 POLB (0.61) ATMKMT2APOLBMEN1MAPT
SCHEMBL3786540 0.87 KMT2A (0.53) ATMKMT2APOLBMEN1MAPT
SCHEMBL10798053 0.85 TDP1 (0.46) ATMKMT2APOLBMEN1MAPT
SCHEMBL28489862 0.84 KMT2A (0.54) ATMKMT2APOLBMEN1MAPT
SCHEMBL15092027 0.84 KMT2A (0.50) ATMKMT2APOLBMEN1MAPT
SCHEMBL3781878 0.83 HTT (0.49) ATMKMT2APOLBMEN1MAPT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4664929-A ARTIFICIAL SWEETENERS GENERAL FOODS CORPORATION (US) 1987-05-12 US claimed
US-4633006-A ARTIFICIAL SWEETENERS GENERAL FOODS CORPORATION (US) 1986-12-30 US claimed
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 US disclosed
US-20220411410-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2022-12-29 US disclosed
US-10987348-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-27 US disclosed
US-10975061-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-13 US disclosed
US-20200115366-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2020-04-16 US disclosed
US-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-14 US disclosed
US-10022352-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-17 US disclosed
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-09-22 US disclosed
US-20150094304-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMA (US) 2015-04-02 US disclosed
US-8952050-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-10 US disclosed
US-8912199-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-16 US disclosed
US-20140080826-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-20 US disclosed
US-20140057906-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-27 US disclosed
US-8598181-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-03 US disclosed
US-20130178471-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vextex Pharmaceuticals Incorporated (US) 2013-07-11 US disclosed
US-20100331344-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-30 US disclosed
US-4664929-A ARTIFICIAL SWEETENERS GENERAL FOODS CORPORATION (US) 1987-05-12 US disclosed
US-4633006-A ARTIFICIAL SWEETENERS GENERAL FOODS CORPORATION (US) 1986-12-30 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 (13 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-20220411410-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ATM 3687/4885KMT2A 4313/4885POLB 2183/4885
US-20150094304-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 ATM 3687/4885KMT2A 4313/4885POLB 2183/4885
US-10987348-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ATM 3687/4885KMT2A 4313/4885POLB 2183/4885
US-20140080826-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ATM 3687/4885KMT2A 4313/4885POLB 2183/4885
US-20140057906-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ATM 3687/4885KMT2A 4313/4885POLB 2183/4885
US-10975061-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ATM 3687/4885KMT2A 4313/4885POLB 2183/4885
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ATM 3687/4885KMT2A 4313/4885POLB 2183/4885
US-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ATM 3687/4885KMT2A 4313/4885POLB 2183/4885
US-20200115366-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ATM 3687/4885KMT2A 4313/4885POLB 2183/4885
US-20130178471-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ATM 3687/4885KMT2A 4313/4885POLB 2183/4885
US-10022352-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ATM 3687/4885KMT2A 4313/4885POLB 2183/4885
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ATM 3687/4885KMT2A 4313/4885POLB 2183/4885
US-20100331344-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 ATM 3687/4885KMT2A 4313/4885POLB 2183/4885

“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.