SCHEMBL5100540

SCHEMBL5100540

O=c1ccc2ccccc2c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 1.00
HPRT1 P00492 4/20 0.65
ALDH1A1 P00352 4/20 0.63
HSD17B10 Q99714 3/20 0.63
CYP2A6 P11509 3/20 0.63
TDP1 Q9NUW8 2/20 0.63
TSHR P16473 1/20 0.63
HIF1A Q16665 2/20 0.52
CYP1B1 Q16678 1/20 0.52
CYP1A2 P05177 4/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 2/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALOX12 P18054 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
SCHEMBL7918791 0.92 PAX8 (0.86) PAX8HPRT1ALDH1A1HSD17B10CYP2A6
SCHEMBL4621081 0.85 PAX8 (0.74) PAX8HPRT1ALDH1A1HSD17B10CYP2A6
SCHEMBL21434395 0.81 PAX8 (0.68) PAX8HPRT1ALDH1A1HSD17B10CYP2A6
SCHEMBL4977476 0.81 PAX8 (0.68) PAX8HPRT1ALDH1A1HSD17B10CYP2A6
SCHEMBL3707219 0.80 PAX8 (0.67) PAX8HPRT1ALDH1A1HSD17B10CYP2A6
SCHEMBL25510 0.80 HPRT1 (1.00) PAX8HPRT1ALDH1A1HSD17B10CYP2A6
Chrysene SCHEMBL27115 0.80 HPRT1 (1.00) PAX8HPRT1ALDH1A1HSD17B10CYP2A6
Chrysene SCHEMBL9786466 0.80 HPRT1 (1.00) PAX8HPRT1ALDH1A1HSD17B10CYP2A6
Chrysene SCHEMBL384031 0.80 HPRT1 (1.00) PAX8HPRT1ALDH1A1HSD17B10CYP2A6
SCHEMBL31177955 0.80 HPRT1 (1.00) PAX8HPRT1ALDH1A1HSD17B10CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834400-B2 Method for synthesizing dibenzocycloheptane derivatives by series cyclization of free radicals under electrooxidation conditions ZHEJIANG NORMAL UNIVERSITY (CN) 2023-12-05 US claimed
WO-2023126006-A1 CATIONIC LIPID CONTAINING FUNCTIONAL GROUP ON SIDE CHAIN, AND USE THEREOF 厦门赛诺邦格生物科技股份有限公司 2023-07-06 WO claimed
CN-115197079-A Polyethylene glycol lipid and liposome modified by same, pharmaceutical composition containing liposome, preparation and application of pharmaceutical composition 厦门赛诺邦格生物科技股份有限公司 2022-10-18 CN claimed
CN-115197080-A Polyethylene glycol lipid and liposome modified by same, pharmaceutical composition containing liposome, preparation and application of pharmaceutical composition 厦门赛诺邦格生物科技股份有限公司 2022-10-18 CN claimed
CN-115010915-A Nitrogen branched nine-arm polyethylene glycol derivative, preparation method and biological related substance modified by nitrogen branched nine-arm polyethylene glycol derivative 厦门赛诺邦格生物科技股份有限公司 2022-09-06 CN claimed
CN-110591079-B Preparation method of monofunctional nonlinear polyethylene glycol 厦门赛诺邦格生物科技股份有限公司 2022-08-02 CN claimed
CN-110643032-B Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2022-01-28 CN claimed
CN-113429559-A Six-arm polyethylene glycol derivative with end hetero-functionalized and preparation method thereof 厦门赛诺邦格生物科技股份有限公司 2021-09-24 CN claimed
CN-113402405-A Cationic lipid, liposome containing cationic lipid, nucleic acid pharmaceutical composition containing liposome, preparation and application thereof 厦门赛诺邦格生物科技股份有限公司 2021-09-17 CN claimed
CN-112694608-A Six-arm polyethylene glycol derivative, preparation method and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2021-04-23 CN claimed
US-20040009967-A1 Pyridyl alkene- and pyridyl alkine- acid amides as cytostatics and immuno-suppressives KLINGE PHARMA GMBH 2004-01-15 US claimed
US-20030162972-A1 Pyridyl alkane acid amides as cytostatics and immunosupressives KLINGE PHARMA GMBH 2003-08-28 US claimed
EP-0799201-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 4-ETHYL-PIPERIDINES NEUROSEARCH AS (DK) 2001-09-26 EP claimed
JP-2000512652-A 2000-09-26 JP claimed
EP-0934309-A1 NEW PYRIDYL ALKANE ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES Klinge Pharma GmbH (DE) 1999-08-11 EP claimed
EP-0923570-A1 PYRIDYL ALKENE- AND PYRIDYL ALKINE- ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES Klinge Pharma GmbH (DE) 1999-06-23 EP claimed
EP-0912176-A1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION Klinge Pharma GmbH (DE) 1999-05-06 EP claimed
WO-1997048397-A1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION KLINGE PHARMA GMBH (DE) 1997-12-24 WO claimed
WO-1997048696-A1 PYRIDYL ALKENE- AND PYRIDYL ALKINE- ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES KLINGE PHARMA GMBH (DE) 1997-12-24 WO claimed
WO-1997048695-A1 NEW PYRIDYL ALKANE ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES KLINGE PHARMA GMBH (DE) 1997-12-24 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 (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-20040009967-A1 Pyridyl alkene- and pyridyl alkine- acid amides as cytostatics and immuno-suppressives IDO1, ALK, ARG1 PAX8 2024/4885HPRT1 172/4885ALDH1A1 173/4885
US-20030162972-A1 Pyridyl alkane acid amides as cytostatics and immunosupressives ALK, TYMP, ANXA1 PAX8 2117/4885HPRT1 198/4885ALDH1A1 168/4885
US-11834400-B2 Method for synthesizing dibenzocycloheptane derivatives by series cyclization of free radicals under electrooxidation conditions POR, CYP2E1, AKR7A2 PAX8 4853/4885HPRT1 907/4885ALDH1A1 743/4885

“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.