SCHEMBL6783276

SCHEMBL6783276

O=c1[nH]c2ccccc2c2c1CCO2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.60
CYP1A2 P05177 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
CYP2C19 P33261 2/20 0.57
CYP2D6 P10635 1/20 0.57
ALPG P10696 1/20 0.57
PARP1 P09874 3/20 0.53
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 3/20 0.47
LMNA P02545 3/20 0.47
TNKS O95271 1/20 0.47
GPR3 P46089 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
PARP15 Q460N3 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
MAPT P10636 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
SCHEMBL30273080 1.00 HPGD (0.60) HPGDCYP1A2SMN1; SMN2CYP2C19CYP2D6
SCHEMBL25911478 0.90 CYP1A2 (0.58) HPGDCYP1A2SMN1; SMN2CYP2C19CYP2D6
SCHEMBL1520228 0.76 MEN1 (0.64) HPGDCYP1A2SMN1; SMN2CYP2C19PARP1
SCHEMBL30273069 0.75 HPGD (0.51) HPGDCYP1A2SMN1; SMN2CYP2C19CYP2D6
SCHEMBL8478795 0.75 HPGD (0.44) HPGDCYP1A2SMN1; SMN2CYP2C19CYP2D6
SCHEMBL25093447 0.75 PARP1 (0.49) CYP1A2SMN1; SMN2CYP2C19CYP2D6ALPG
SCHEMBL30018760 0.75 PARP1 (0.49) CYP1A2SMN1; SMN2CYP2C19CYP2D6ALPG
SCHEMBL30019173 0.75 PARP1 (0.49) CYP1A2SMN1; SMN2CYP2C19CYP2D6ALPG
SCHEMBL25093456 0.75 PARP1 (0.49) CYP1A2SMN1; SMN2CYP2C19CYP2D6ALPG
SCHEMBL28935130 0.74 KDM4E (0.57) HPGDCYP1A2SMN1; SMN2CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117323377-A Alcohol extract of fructus forsythiae pericarp at golden edge, preparation method and application thereof 浙江大学 2024-01-02 CN disclosed
US-6815442-B2 A PHENOXY-ALKYL-QUINOXALINONE DERIVATIVES FOR INHIBITING DRUG TRANSPORT PROTEINS THAT EFFLUX THERAPEUTIC AGENTS FROM CELLS; SYNERGISTIC THE PENN STATE RESEARCH FOUNDATION 2004-11-09 US disclosed
US-6693112-B2 FOR INHIBITING DRUG TRANSPORT FROM TARGET CELLS OR TISSUES IN AN ANIMAL UNDERGOING CHEMOTHERAPY; FOR PREVENTING DRUG RESISTANCE THE PENNSYLVANIA STATE UNIVERSITY 2004-02-17 US disclosed
US-20030203910-A1 Novel compounds for enhancing chemotherapy NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-10-30 US disclosed
US-20030105122-A1 Compounds for enhancing chemotherapy THE PENN STATE RESEARCH FOUNDATION. 2003-06-05 US disclosed
US-6537993-B2 Compounds for enhancing chemotherapy PENN STATE RESEARCH FOUNDATION 2003-03-25 US disclosed
EP-1272479-A2 NOVEL COMPOUNDS FOR ENHANCING CHEMOTHERAPY THE PENN STATE RESEARCH FOUNDATION (US) 2003-01-08 EP disclosed
US-20020013322-A1 Novel compounds for enhancing chemotherapy NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-01-31 US disclosed
WO-2001074790-A2 NOVEL COMPOUNDS FOR ENHANCING CHEMOTHERAPY THE PENN STATE RESEARCH FOUNDATION (US) 2001-10-11 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 (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-20030203910-A1 Novel compounds for enhancing chemotherapy ABCB1, ABCB11, ABCC1 HPGD 2330/4885CYP1A2 3649/4885SMN1; SMN2 4549/4885
US-20020013322-A1 Novel compounds for enhancing chemotherapy ABCB1, ABCB11, ABCC1 HPGD 2330/4885CYP1A2 3649/4885SMN1; SMN2 4549/4885
US-20030105122-A1 Compounds for enhancing chemotherapy NQO2, MCL1, ABCB1 HPGD 682/4885CYP1A2 566/4885SMN1; SMN2 2469/4885

“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.