SCHEMBL6439790

SCHEMBL6439790

O=C(O)C(Cc1ccccc1)NC1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.56
MME P08473 4/20 0.55
ACE P12821 4/20 0.55
CPA1 P15085 4/20 0.55
ACE2 Q9BYF1 4/20 0.55
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 2/20 0.52
HSD17B10 Q99714 1/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 2/20 0.51
EPHX1 P07099 1/20 0.50
HPGD P15428 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
LMNA P02545 1/20 0.49
ITGB1 P05556 1/20 0.48
ITGA4 P13612 1/20 0.48

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
SCHEMBL6439794 1.00 EPHX2 (0.56) EPHX2MMEACECPA1ACE2
SCHEMBL29069408 1.00 EPHX2 (0.56) EPHX2MMEACECPA1ACE2
SCHEMBL12678083 0.98 MME (0.54) EPHX2MMEACECPA1ACE2
SCHEMBL7257313 0.98 MME (0.54) EPHX2MMEACECPA1ACE2
SCHEMBL10933319 0.95 MME (0.54) EPHX2MMEACECPA1ACE2
SCHEMBL7258036 0.95 MME (0.54) EPHX2MMEACECPA1ACE2
SCHEMBL2076149 0.92 POLB (0.55) MMEACECPA1ACE2ALDH1A1
SCHEMBL2076151 0.92 POLB (0.55) MMEACECPA1ACE2ALDH1A1
SCHEMBL838649 0.88 NPC1 (0.54) EPHX2MMEACECPA1ACE2
SCHEMBL838650 0.88 NPC1 (0.54) EPHX2MMEACECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092849-A1 SELECTIVE MCL-1 BINDING PEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2024-03-21 US disclosed
CN-116730980-A Compound and stereoisomer thereof, or pharmaceutically acceptable salt and application thereof 合肥工业大学智能制造技术研究院 2023-09-12 CN disclosed
US-20210363207-A1 SELECTIVE MCL-1 BINDING PEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2021-11-25 US disclosed
US-20190077840-A1 SELECTIVE MCL-1 BINDING PEPTIDES NATIONAL INSTITUTES OF HEALTH 2019-03-14 US disclosed
CN-107530405-A Insulin analogs containing glucose-regulated conformational converters 卡斯西部储备大学 2018-01-02 CN disclosed
WO-2017075349-A2 SELECTIVE MCL-1 BINDING PEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-05-04 WO disclosed
US-20050288222-A1 Methods for enhancing the bioavailability of a drug HAYWARD NEIL J 2005-12-29 US disclosed
EP-1263454-A2 METHODS FOR ENHANCING THE BIOAVAILABILITY OF A DRUG Praecis Pharmaceuticals Incorporated (US) 2002-12-11 EP disclosed
US-20020142950-A1 Methods for enhancing the bioavailability of a drug PRAECIS PHARMACEUTICALS, INC. 2002-10-03 US disclosed
WO-2001058470-A2 METHODS FOR ENHANCING THE BIOAVAILABILITY OF A DRUG PRAECIS PHARMACEUTICALS INCORPORATED (US) 2001-08-16 WO disclosed
WO-2000010005-A1 USE OF ANALYTICAL TRACER MOLECULES SEDERMA (FR) 2000-02-24 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 (5 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-20020142950-A1 Methods for enhancing the bioavailability of a drug IAPP, VIP, FABP1 EPHX2 867/4885MME 49/4885ACE 224/4885
US-20190077840-A1 SELECTIVE MCL-1 BINDING PEPTIDES MCL1, BCL2L11, BCL2L1 EPHX2 4824/4885MME 748/4885ACE 4708/4885
US-20240092849-A1 SELECTIVE MCL-1 BINDING PEPTIDES MCL1, BCL2L11, BCL2L1 EPHX2 4824/4885MME 748/4885ACE 4708/4885
US-20210363207-A1 SELECTIVE MCL-1 BINDING PEPTIDES MCL1, BCL2L11, BCL2L1 EPHX2 4824/4885MME 748/4885ACE 4708/4885
US-20050288222-A1 Methods for enhancing the bioavailability of a drug IAPP, APP, VIP EPHX2 806/4885MME 45/4885ACE 181/4885

“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.