SCHEMBL3034512

SCHEMBL3034512

COc1cc(C)c2c(c1)C(C(=O)O)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
SIRT1 Q96EB6 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 2/20 0.37
HTT P42858 1/20 0.35
EGFR P00533 1/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
G6PD P11413 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
MCL1 Q07820 1/20 0.34
LMNA P02545 1/20 0.34
HSPA1A P0DMV8 1/20 0.33
PTPN7 P35236 1/20 0.33

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
SCHEMBL1520733 0.72 SIRT1 (0.45) SIRT1
SCHEMBL548191 0.72 KDM4E (0.43) HPGDKMT2AMEN1POLBHTT
SCHEMBL5158375 0.72 LMNA (0.55) CYP3A4KMT2AMEN1GAASMN1; SMN2
SCHEMBL8065941 0.69 ALDH1A1 (0.44) HPGDKDM4EMAPTALDH1A1
SCHEMBL16534683 0.69 HPGD (0.41) CYP3A4HPGDKMT2AMEN1POLB
SCHEMBL14395399 0.69 ATM (0.47) CYP3A4TSHRGAAKDM4EMAPT
SCHEMBL1842495 0.67 MTNR1A (0.56)
SCHEMBL30746730 0.67 MTNR1A (0.56)
Hydrochloric Acid SCHEMBL9628615 0.66 MTNR1A (0.54)
SCHEMBL484746 0.65 KMT2A (0.64) CYP3A4HPGDKMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
EP-2203454-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. Organon (NL) 2010-07-07 EP disclosed
WO-2009037220-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2009-03-26 WO disclosed
WO-2009037220-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2009-03-26 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 (1 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-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES TPH1, HTR2C, TPH2 CYP3A4 71/4885HPGD 490/4885SIRT1 957/4885

“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.