SCHEMBL19686451

SCHEMBL19686451

C=CCCCCCCC(C)(NC)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 3/20 0.40
ABCC4 O15439 1/20 0.40
ACLY P53396 1/20 0.37
TSHR P16473 2/20 0.36
USP2 O75604 2/20 0.36
CYP3A4 P08684 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.36
HPGD P15428 1/20 0.35
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33

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
SCHEMBL13282102 1.00 ALDH1A1 (0.43) ALDH1A1LMNAMAPTABCC4ACLY
SCHEMBL18747143 1.00 ALDH1A1 (0.43) ALDH1A1LMNAMAPTABCC4ACLY
SCHEMBL14898381 1.00 ALDH1A1 (0.43) ALDH1A1LMNAMAPTABCC4ACLY
SCHEMBL13282208 0.95 ALDH1A1 (0.39) ALDH1A1LMNAMAPTABCC4TSHR
SCHEMBL19289866 0.95 ALDH1A1 (0.39) ALDH1A1LMNAMAPTABCC4TSHR
SCHEMBL13282112 0.95 ALDH1A1 (0.39) ALDH1A1LMNAMAPTABCC4TSHR
SCHEMBL19738597 0.88 ALDH1A1 (0.37) ALDH1A1LMNAMAPTABCC4ACLY
SCHEMBL18789586 0.88 ALDH1A1 (0.37) ALDH1A1LMNAMAPTABCC4ACLY
SCHEMBL18426952 0.87 ALDH1A1 (0.41) ALDH1A1LMNAMAPTABCC4ACLY
SCHEMBL21128960 0.87 ALDH1A1 (0.41) ALDH1A1LMNAMAPTABCC4ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3344275-B1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS INC (US) 2023-03-08 EP disclosed
EP-3052121-B1 WNT COMPOSITIONS AND METHODS FOR PURIFICATION UNIV LELAND STANFORD JUNIOR (US) 2023-02-22 EP disclosed
US-20230037284-A9 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2023-02-02 US disclosed
US-20230024722-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. 2023-01-26 US disclosed
US-20220000968-A1 PEPTIDOMIMETIC MACROCYCLES HOFFMAN-LA ROCHE, INC. 2022-01-06 US disclosed
US-20210363189-A1 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS INC (US) 2021-11-25 US disclosed
US-20210299211-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF AILERON THERAPEUTICS, INC. 2021-09-30 US disclosed
WO-2021188659-A1 HELICAL STAPLED PEPTIDES AND USES THEREOF FOG PHARMACEUTICALS, INC. (US) 2021-09-23 WO disclosed
US-11091522-B2 Peptidomimetic macrocycles and uses thereof AILERON THERAPEUTICS, INC. (US) 2021-08-17 US disclosed
US-11008366-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2021-05-18 US disclosed
US-10308699-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2019-06-04 US disclosed
US-10253067-B2 Peptidomimetic macrocycles and uses thereof AILERON THERAPEUTICS, INC. (US) 2019-04-09 US disclosed
US-10246491-B2 Peptidomimetic macrocycles and use thereof in regulating HIF1alpha AILERON THERAPEUTICS, INC. (US) 2019-04-02 US disclosed
US-10227380-B2 Triazole-crosslinked and thioether-crosslinked peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2019-03-12 US disclosed
US-10023613-B2 Peptidomimetic macrocycles as modulators of MCL-1 AILERON THERAPEUTICS, INC. (US) 2018-07-17 US disclosed
US-20180193264-A1 WNT COMPOSITIONS AND METHODS FOR PURIFICATION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2018-07-12 US disclosed
US-9957299-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2018-05-01 US disclosed
US-9937126-B2 Wnt compositions and methods for purification THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-04-10 US disclosed
US-20170360881-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. 2017-12-21 US disclosed
US-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-12-07 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 (15 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-10246491-B2 Peptidomimetic macrocycles and use thereof in regulating HIF1alpha HIF1A, HIF1AN, EGLN3 ALDH1A1 2295/4885LMNA 2417/4885MAPT 4811/4885
US-10023613-B2 Peptidomimetic macrocycles as modulators of MCL-1 MCL1, BCL2L1, BCL2L11 ALDH1A1 4380/4885LMNA 3573/4885MAPT 4088/4885
US-20230024722-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS SLC29A2, SLC29A1, PNP ALDH1A1 2219/4885LMNA 1629/4885MAPT 2576/4885
US-10253067-B2 Peptidomimetic macrocycles and uses thereof TP53, TP53BP1, MDM2 ALDH1A1 4043/4885LMNA 2157/4885MAPT 3347/4885
US-10308699-B2 Peptidomimetic macrocycles GHRHR, GHSR, GHITM ALDH1A1 4843/4885LMNA 3985/4885MAPT 3661/4885
US-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES TP53, TP53BP1, VHL ALDH1A1 4313/4885LMNA 2447/4885MAPT 1449/4885
US-20230037284-A9 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES BID, FLT3, GRPR ALDH1A1 4722/4885LMNA 4139/4885MAPT 4226/4885
US-20210299211-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF MDM2, TP53, TP53BP1 ALDH1A1 4716/4885LMNA 3294/4885MAPT 905/4885
US-10227380-B2 Triazole-crosslinked and thioether-crosslinked peptidomimetic macrocycles IL33, TPR, CDC37 ALDH1A1 4459/4885LMNA 4476/4885MAPT 1935/4885
US-11091522-B2 Peptidomimetic macrocycles and uses thereof FLT3, BID, GRPR ALDH1A1 4687/4885LMNA 3875/4885MAPT 4537/4885
US-11008366-B2 Peptidomimetic macrocycles GLP1R, PROKR1, VIP ALDH1A1 4756/4885LMNA 3419/4885MAPT 2413/4885
US-20220000968-A1 PEPTIDOMIMETIC MACROCYCLES TP53, MDM2, MDM4 ALDH1A1 4570/4885LMNA 2565/4885MAPT 1649/4885
US-20170360881-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF VIP, FLT3, HAVCR2 ALDH1A1 4789/4885LMNA 3298/4885MAPT 3687/4885
US-20180193264-A1 WNT COMPOSITIONS AND METHODS FOR PURIFICATION WNT3A, CTNNBL1, WNT1 ALDH1A1 4235/4885LMNA 1788/4885MAPT 4501/4885
US-20210363189-A1 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES BID, FLT3, GRPR ALDH1A1 4722/4885LMNA 4139/4885MAPT 4226/4885

“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.