SCHEMBL2996533

SCHEMBL2996533

OCCOc1ccc(I)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
RECQL P46063 1/20 0.60
NR1I2 O75469 1/20 0.53
CYP3A4 P08684 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
APP P05067 8/20 0.52
GAA P10253 1/20 0.50
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
GPR84 Q9NQS5 1/20 0.42

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
SCHEMBL2014873 0.88 APP (0.50) ALDH1A1RECQLNR1I2CYP3A4SMN1; SMN2
SCHEMBL28106819 0.87 ALDH1A1 (0.75) ALDH1A1RECQLNR1I2CYP3A4SMN1; SMN2
SCHEMBL2771835 0.87 APP (0.57) ALDH1A1RECQLNR1I2CYP3A4SMN1; SMN2
SCHEMBL48239 0.87 ALDH1A1 (0.75) ALDH1A1RECQLNR1I2CYP3A4SMN1; SMN2
SCHEMBL12573208 0.87 APP (0.57) ALDH1A1RECQLNR1I2CYP3A4SMN1; SMN2
SCHEMBL28981342 0.86 APP (0.48) ALDH1A1RECQLAPPGAA
Ethylene Glycol SCHEMBL11119213 0.85 ALDH1A1 (0.71) ALDH1A1RECQLNR1I2CYP3A4SMN1; SMN2
Water SCHEMBL29229746 0.85 ALDH1A1 (0.71) ALDH1A1RECQLNR1I2CYP3A4SMN1; SMN2
SCHEMBL3482785 0.85 APP (0.47) APPGAA
SCHEMBL14659721 0.85 APP (0.47) APPGAA

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-2025038912-A1 PHOTORESIST COMPOSITIONS AND PATTERN FORMATION METHODS DUPONT ELECTRONIC MATERIALS INTERNATIONAL, LLC (US) 2025-02-20 WO disclosed
WO-2025038907-A1 PHOTORESIST COMPOSITIONS AND PATTERN FORMATION METHODS DUPONT ELECTRONIC MATERIALS INTERNATIONAL, LLC (US) 2025-02-20 WO disclosed
CN-114702655-B Polycarbonate and preparation method and application thereof 华为技术有限公司 2023-06-27 CN disclosed
CN-114702655-A Polycarbonate and preparation method and application thereof 华为技术有限公司 2022-07-05 CN disclosed
EP-3689871-B1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2021-09-29 EP disclosed
US-20210071080-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2021-03-11 US disclosed
EP-3689871-A1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2020-08-05 EP disclosed
WO-2020008826-A1 COMPOUNDS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC株式会社 2020-01-09 WO disclosed
EP-3114126-B1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS IDORSIA PHARMACEUTICALS LTD (CH) 2018-10-31 EP disclosed
US-10106544-B2 1,2-dihydro-3H-pyrrolo[1,2-C]imidazol-3-one derivatives and their use as antibacterial agents IDORSIA PHARMACEUTICALS LTD (CH) 2018-10-23 US disclosed
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-10-21 US disclosed
EP-1467998-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-10-20 EP disclosed
WO-2004050660-A1 NOVEL HETEROATOM CONTAINING TETRACYCLIC DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2004-06-17 WO disclosed
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-20 US disclosed
WO-2003053977-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-07-03 WO disclosed
US-5861421-A 4,4-(disubstituted) cyclohexan-1-one monomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-01-19 US disclosed
EP-0800393-A4 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-ONE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-05-06 EP disclosed
EP-0800393-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-ONE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-15 EP disclosed
WO-1996019995-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-ONE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-07-04 WO disclosed
US-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 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 (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-10106544-B2 1,2-dihydro-3H-pyrrolo[1,2-C]imidazol-3-one derivatives and their use as antibacterial agents CCNI, H1-0, H1-3 ALDH1A1 796/4885RECQL 749/4885NR1I2 609/4885
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R ALDH1A1 2991/4885RECQL 4125/4885NR1I2 684/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR ALDH1A1 2801/4885RECQL 4464/4885NR1I2 63/4885

“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.