SCHEMBL55973

SCHEMBL55973

Cc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)c(C)c(C)c3cc(-c5c6ccccc6c(-c6ccc(C)c7ccccc67)c6ccccc56)ccc34)c3ccccc23)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.43
▸ CYP2A6 P11509 3/20 0.34
▸ HIF1A Q16665 3/20 0.34
▸ EPAS1 Q99814 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ CES2 O00748 2/20 0.34
▸ KDM1A O60341 2/20 0.34
▸ CES1 P23141 2/20 0.34
▸ PTPN6 P29350 2/20 0.34
▸ BLM P54132 2/20 0.34
▸ PTPN11 Q06124 2/20 0.34
▸ EED O75530 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SUZ12 Q15022 1/20 0.34
▸ EZH2 Q15910 1/20 0.34
▸ NSD1 Q96L73 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ MCL1 Q07820 1/20 0.33
▸ ACHE P22303 2/20 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
SCHEMBL4263577 0.85 CYP1A2 (0.42) CYP1A2CYP2A6HIF1AEPAS1MAPT
SCHEMBL13995087 0.81 BRD4 (0.32) —
SCHEMBL260441 0.80 CYP1A2 (0.68) CYP1A2CYP2A6HIF1AEPAS1MAPT
SCHEMBL29416731 0.80 CYP1A2 (0.68) CYP1A2CYP2A6HIF1AEPAS1MAPT
SCHEMBL2380918 0.80 CYP1A2 (0.68) CYP1A2CYP2A6HIF1AEPAS1MAPT
SCHEMBL4264605 0.79 SMN1; SMN2 (0.49) CYP1A2HIF1AEPAS1MAPTTDP1
SCHEMBL13861752 0.75 CD274 (0.35) HIF1AEPAS1MAPTTDP1CES2
SCHEMBL22345737 0.75 CA12 (0.41) CYP1A2CYP2A6MCL1ALDH1A1HPGD
SCHEMBL22345783 0.75 CA12 (0.41) CYP1A2CYP2A6MCL1ALDH1A1HPGD
SCHEMBL29771054 0.75 CA12 (0.41) CYP1A2CYP2A6MCL1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3287506-B1 PHENANTHRENE DERIVATIVES MERCK PATENT GMBH (DE) 2020-02-26 — — EP disclosed
EP-1797158-B1 PHENANTHRENE DERIVATIVES MERCK PATENT GMBH (DE) 2019-05-01 — — EP disclosed
EP-3287506-A1 PHENANTHRENE DERIVATIVES Merck Patent GmbH (DE) 2018-02-28 — — EP disclosed
US-8129037-B2 Phenanthrene derivative MERCK PATENT GMBH (DE) 2012-03-06 — — US disclosed
US-20090026919-A1 PHENANTHRENE DERIVATIVE MERCK PATEN GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2009-01-29 — — US 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-20090026919-A1 PHENANTHRENE DERIVATIVE LEF1, CRY1, WNT1 CYP1A2 66/4885CYP2A6 1440/4885HIF1A 1551/4885

“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.

Send feedback