SCHEMBL3079050

SCHEMBL3079050

[Li]c1cccc2c1ccc1ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.67
ALDH1A1 P00352 6/20 0.57
HSD17B10 Q99714 4/20 0.57
CYP2A6 P11509 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
TSHR P16473 2/20 0.57
PAX8 Q06710 1/20 0.48
CYP1A2 P05177 5/20 0.48
HPGD P15428 3/20 0.48
HIF1A Q16665 2/20 0.48
CYP1B1 Q16678 1/20 0.48
THRB P10828 1/20 0.48
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 1/20 0.44
APEX1 P27695 1/20 0.44
PMP22 Q01453 1/20 0.44
ERBB2 P04626 1/20 0.43
FYN P06241 1/20 0.43

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
Carbon Dioxide SCHEMBL29620343 0.92 HPRT1 (0.56) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL238050 0.85 ALDH1A1 (0.53) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL29585978 0.85 ALDH1A1 (0.53) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
Methane SCHEMBL5212093 0.82 ALDH1A1 (0.50) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
Chrysene SCHEMBL384031 0.82 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
Chrysene SCHEMBL9786466 0.82 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL29640482 0.82 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL31177955 0.82 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL25510 0.82 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10CYP2A6TDP1
Chrysene SCHEMBL27115 0.82 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10CYP2A6TDP1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112239424-B Preparation method of aristolochia alkaloids and intermediate thereof 温州医科大学 2022-06-21 CN disclosed
US-7794632-B2 Process for the preparation of pure aryllithium compounds and their use CHEMETALL GMBH (DE) 2010-09-14 US disclosed
EP-1547993-A4 PROCESS FOR PREPARATION OF SPIROFLUORENOLS TOKUYAMA CORP (JP) 2007-11-07 EP disclosed
US-20070187847-A1 Process for the preparation of pure aryllithium compounds and their use EMMEL UTE 2007-08-16 US disclosed
CN-1307140-C Process for preparing spirofluorenols TOKUYAMA CORP (JP) 2007-03-28 CN disclosed
CN-1307140-C Process for preparing spirofluorenols TOKUYAMA CORP (JP) 2007-03-28 CN disclosed
US-7087798-B2 Process for preparation of spirofluorenols TOKUYAMA CORPORATION (JP) 2006-08-08 US disclosed
US-7087798-B2 Process for preparation of spirofluorenols TOKUYAMA CORPORATION (JP) 2006-08-08 US disclosed
EP-1295887-B1 Preparation of pure aryl lithium compounds CHEMETALL GMBH (DE) 2006-08-02 EP disclosed
US-20060091569-A1 Process for the preparation of pure aryllithium compounds and their use EMMEL UTE 2006-05-04 US disclosed
US-20060025636-A1 Process for preparation of spirofluorenols TOKUYAMA CORPORATION (JP) 2006-02-02 US disclosed
US-20060025636-A1 Process for preparation of spirofluorenols TOKUYAMA CORPORATION (JP) 2006-02-02 US disclosed
CN-1694860-A Process for preparing spirofluorenols TOKUYAMA CORP (JP) 2005-11-09 CN disclosed
CN-1694860-A Process for preparing spirofluorenols TOKUYAMA CORP (JP) 2005-11-09 CN disclosed
EP-1547993-A1 PROCESS FOR PREPARATION OF SPIROFLUORENOLS Tokuyama Corporation (JP) 2005-06-29 EP disclosed
EP-1547993-A1 PROCESS FOR PREPARATION OF SPIROFLUORENOLS Tokuyama Corporation (JP) 2005-06-29 EP disclosed
WO-2004022514-A1 PROCESS FOR PREPARATION OF SPIROFLUORENOLS TOKUYAMA CORPORATION (JP) 2004-03-18 WO disclosed
US-20030155665-A1 Process for the preparation of pure aryllithium compounds and their use CHEMETALL GMBH (DE) 2003-08-21 US disclosed
EP-1295887-A1 Preparation of pure aryl lithium compounds and their use Chemetall GmbH (DE) 2003-03-26 EP 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 (4 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-20060025636-A1 Process for preparation of spirofluorenols CYP2F1, DHCR7, HSD17B7 HPRT1 4091/4885ALDH1A1 911/4885HSD17B10 312/4885
US-20060091569-A1 Process for the preparation of pure aryllithium compounds and their use TYR, MLLT3, MLLT1 HPRT1 316/4885ALDH1A1 3105/4885HSD17B10 3080/4885
US-20070187847-A1 Process for the preparation of pure aryllithium compounds and their use TYR, MLLT3, MLLT1 HPRT1 316/4885ALDH1A1 3105/4885HSD17B10 3080/4885
US-20030155665-A1 Process for the preparation of pure aryllithium compounds and their use TYR, MLLT3, MLLT1 HPRT1 316/4885ALDH1A1 3105/4885HSD17B10 3080/4885

“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.