SCHEMBL9170451

SCHEMBL9170451

CCCc1ccc2ccccc2c1OC

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
NCEH1 Q6PIU2 1/20 0.39

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
SCHEMBL30490817 0.85 KDM4E (0.46) SLC2A1KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL14064624 0.85 KDM4E (0.46) SLC2A1KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL28740512 0.84 MAPT (0.46) SLC2A1KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL28975613 0.84 TAAR1 (0.49) SLC2A1KDM4EALDH1A1MAPK1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL28190293 0.84 KDM4E (0.45) SLC2A1KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL8814573 0.83 ALDH1A1 (0.48) KDM4EALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL5963023 0.81 ALDH1A1 (0.46) KDM4EALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL9856949 0.80 SLC2A1 (0.44) SLC2A1KDM4EALDH1A1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL6557781 0.80 SLC2A1 (0.47) SLC2A1KDM4EALDH1A1POLB
SCHEMBL9749454 0.80 SLC2A1 (0.44) SLC2A1KDM4EALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584773-B2 Phosphorous protecting groups and methods of preparation and use thereof AGILENT TECHNOLOGIES, INC. (US) 2023-02-21 US disclosed
US-20220002334-A1 PHOSPHOROUS PROTECTING GROUPS AND METHODS OF PREPARATION AND USE THEREOF UNIVERSITY OF COLORADO BOULDER 2022-01-06 US disclosed
EP-0561948-B1 PHOSPHONIC ACID DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS UPJOHN CO (US) 1995-04-05 EP disclosed
EP-0622373-A1 Phosphonic acid derivatives useful as anti-inflammatory agents THE UPJOHN COMPANY (US) 1994-11-02 EP disclosed
US-5360797-A Bisphosphonic acid derivatives useful as anti-arthritic agents THE UPJOHN COMPANY (US) 1994-11-01 US disclosed
US-5298498-A Antiarthritic agents THE UPJOHN COMPANY (US) 1994-03-29 US disclosed
EP-0561948-A1 PHOSPHONIC ACID DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS. UPJOHN CO (US) 1993-09-29 EP disclosed
WO-1992010504-A2 PHOSPHONIC ACID DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1992-06-25 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 (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-20220002334-A1 PHOSPHOROUS PROTECTING GROUPS AND METHODS OF PREPARATION AND USE THEREOF POLN, POLRMT, NUDT21 SLC2A1 3110/4885KDM4E 3963/4885ALDH1A1 3878/4885
US-11584773-B2 Phosphorous protecting groups and methods of preparation and use thereof POLN, POLRMT, NUDT21 SLC2A1 3110/4885KDM4E 3963/4885ALDH1A1 3878/4885

“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.