SCHEMBL516698

SCHEMBL516698

CC1(C(N)=O)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
FFAR3 O14843 1/20 0.39
PKM P14618 1/20 0.39
CETP P11597 2/20 0.35
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
P2RX7 Q99572 1/20 0.34
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
BLM P54132 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CCR2 P41597 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL6874432 1.00 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2FFAR3PKMCETP
SCHEMBL7632840 1.00 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2FFAR3PKMCETP
Hydrochloric Acid SCHEMBL7274491 0.97 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2FFAR3PKMCETP
SCHEMBL1536078 0.97
SCHEMBL15340982 0.92 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2FFAR3PKMLMNA
SCHEMBL540102 0.92
SCHEMBL25489834 0.91 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2FFAR3PKMCETP
Hydrochloric Acid SCHEMBL4622019 0.89
Formic Acid SCHEMBL31251469 0.87 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2FFAR3PKMTDP1
SCHEMBL457922 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116199747-A Lidamycin prodrug, preparation method and application thereof in preparation of antitumor drugs 中国医学科学院医药生物技术研究所 2023-06-02 CN claimed
EP-4139295-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4x Discovery Limited (GB) 2023-03-01 EP claimed
EP-3817575-A1 SOLUBILIZATION OF POORLY SOLUBLE COOLING SUBSTANCES Symrise AG (DE) 2021-05-12 EP claimed
WO-2020007484-A1 SOLUBILIZATION OF POORLY SOLUBLE COOLING SUBSTANCES SYMRISE AG (DE) 2020-01-09 WO claimed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP claimed
US-9198426-B2 Use of 5 pyridin-4-yl-1,3-thiazoles for controlling phytopathogenic fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US claimed
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US claimed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US claimed
CN-101896065-B sEH inhibitors and their use SMITHKLINE BEECHAM CORP 2013-12-18 CN claimed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
EP-1773796-A2 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-04-18 EP claimed
EP-1660507-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2006-05-31 EP claimed
WO-2006021655-A2 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-03-02 WO claimed
US-20050107307-A1 Proteasome inhibitors and methods of using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 US claimed
WO-2005021558-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2005-03-10 WO claimed
CN-1458840-A Pharmaceutical composition of cholesteryl ester transfer protein inhibitor PFIZER PROD INC (US) 2003-11-26 CN claimed
EP-1305007-A2 PHARMACEUTICAL COMPOSITIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS Pfizer Products Inc. (US) 2003-05-02 EP claimed
WO-2002011710-A2 PHARMACEUTICAL COMPOSITIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS PFIZER PRODUCTS INC. (US) 2002-02-14 WO claimed
EP-1068187-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 2001-01-17 EP claimed
WO-1999051580-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 1999-10-14 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 ALDH1A1 1202/4885SMN1; SMN2 3446/4885FFAR3 1530/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 ALDH1A1 3935/4885SMN1; SMN2 1107/4885FFAR3 4300/4885

“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.