SCHEMBL91232

SCHEMBL91232

OCCOc1ccccc1I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
RECQL P46063 1/20 0.50
IDO1 P14902 1/20 0.48
LMNA P02545 4/20 0.43
GAA P10253 2/20 0.43
JAK2 O60674 1/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PDE5A O76074 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR7 P34969 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL16560592 0.89 LMNA (0.42) ALDH1A1RECQLIDO1LMNAGAA
SCHEMBL16560595 0.88 ALDH1A1 (0.42) ALDH1A1RECQLIDO1LMNAGAA
SCHEMBL22005000 0.86 MAPT (0.50) ALDH1A1RECQLIDO1LMNAGAA
SCHEMBL22005040 0.84 KDM4E (0.44) ALDH1A1LMNAGAAJAK2MAPT
SCHEMBL2705419 0.84 KDM4E (0.44) ALDH1A1RECQLLMNAGAAJAK2
SCHEMBL29510942 0.84 ALDH1A1 (0.61) ALDH1A1RECQLIDO1LMNAGAA
SCHEMBL238824 0.84 ALDH1A1 (0.61) ALDH1A1RECQLIDO1LMNAGAA
SCHEMBL10458218 0.83 KDM4E (0.45) ALDH1A1LMNAGAAJAK2MAPT
SCHEMBL22005008 0.82 NPC1 (0.47) ALDH1A1LMNAGAAJAK2MAPT
SCHEMBL18525261 0.82 ALDH1A1 (0.41) ALDH1A1RECQLIDO1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023219866-A1 THERMOPLASTIC POLYURETHANE AND USES THEREOF HUNTSMAN INTERNATIONAL LLC (US) 2023-11-16 WO disclosed
WO-2023183298-A1 THERMOPLASTIC POLYURETHANE BINDER AND USES THEREOF HUNTSMAN INTERNATIONAL LLC (US) 2023-09-28 WO disclosed
US-10258602-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2019-04-16 US disclosed
US-20180110824-A1 Macrocyclic Modulators of the Ghrelin Receptor OCERA THERAPEUTICS, INC. 2018-04-26 US disclosed
US-20180110824-A1 Macrocyclic Modulators of the Ghrelin Receptor OCERA THERAPEUTICS, INC. 2018-04-26 US disclosed
US-9949949-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2018-04-24 US disclosed
US-9949949-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2018-04-24 US disclosed
EP-2457893-B1 Intermediates for macrocyclic modulators of the ghrelin receptor OCERA THERAPEUTICS INC (US) 2017-08-16 EP disclosed
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME MALLINCKRODT PHARMA IP TRADING UNLIMITED COMPANY 2017-02-16 US disclosed
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME MALLINCKRODT PHARMA IP TRADING UNLIMITED COMPANY 2017-02-16 US disclosed
EP-0794774-B1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2005-10-12 EP disclosed
US-5977122-A 4,4-(disubstituted)cyclohexan-1-ols monomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed
US-5891883-A 4,4-(disubstituted)cyclohexan-1-ols monomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-04-06 US disclosed
US-5892098-A 3,3-(disubstituted)cyclohexan-1-one monomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-04-06 US disclosed
EP-0828493-A4 4.4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS-MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-09-02 EP disclosed
EP-0794774-A4 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-04-29 EP disclosed
EP-0828493-A1 4.4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS-MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-18 EP disclosed
EP-0794774-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-09-17 EP disclosed
WO-1996038150-A1 4.4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS-MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-12-05 WO disclosed
WO-1996019988-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-07-04 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 (3 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-20180110824-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR ALDH1A1 3993/4885RECQL 3249/4885IDO1 3988/4885
US-10258602-B2 Macrocyclic ghrelin receptor modulators and methods of using the same GHSR, GHRHR, GIPR ALDH1A1 4297/4885RECQL 3140/4885IDO1 4167/4885
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR ALDH1A1 4245/4885RECQL 3242/4885IDO1 4222/4885

“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.