SCHEMBL5582461

SCHEMBL5582461

COc1cc(BO)cc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.58
▸ CYP1A1 P04798 7/20 0.44
▸ CYP1B1 Q16678 7/20 0.44
▸ CYP3A4 P08684 3/20 0.42
▸ ABL1 P00519 5/20 0.41
▸ BCR P11274 5/20 0.41
▸ ABCB1 P08183 4/20 0.41
▸ CYP1A2 P05177 4/20 0.39
▸ CYP2E1 P05181 2/20 0.39
▸ CYP2C8 P10632 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2A6 P11509 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP4B1 P13584 2/20 0.39
▸ CYP2B6 P20813 2/20 0.39
▸ CYP3A5 P20815 2/20 0.39
▸ CYP2A7 P20853 2/20 0.39
▸ CYP3A7 P24462 2/20 0.39
▸ CYP2F1 P24903 2/20 0.39
▸ CYP2C18 P33260 2/20 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
SCHEMBL257740 0.84 ALDH1A1 (0.40) ALDH1A1CYP1A1CYP1B1CYP3A4ABL1
SCHEMBL7007855 0.77 ACHE (0.50) ALDH1A1CYP3A4CA1CA2NPC1
1,3,5-Trimethoxybenzene SCHEMBL28493 0.76 ALDH1A1 (1.00) ALDH1A1CYP1A1CYP1B1CYP3A4ABL1
SCHEMBL14500179 0.76 ALDH1A1 (0.61) ALDH1A1CYP1A1CYP1B1CYP3A4ABL1
SCHEMBL13798720 0.75 CYP1A1 (0.41) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2
SCHEMBL16303509 0.74 ALDH1A1 (0.58) ALDH1A1CYP1A1CYP1B1CYP3A4ABL1
SCHEMBL3261919 0.74 CA1 (0.58) ALDH1A1CYP3A4CA1CA2KDM4E
SCHEMBL1402759 0.74 ALDH1A1 (0.79) ALDH1A1CYP1A1CYP1B1CYP3A4ABL1
1,3,5-Trimethoxybenzene SCHEMBL28740008 0.73 ALDH1A1 (0.92) ALDH1A1CYP1A1CYP1B1CYP3A4ABL1
1,3,5-Trimethoxybenzene SCHEMBL28416912 0.73 ALDH1A1 (0.92) ALDH1A1CYP1A1CYP1B1CYP3A4ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184521-A1 INDAZOLE COMPOUNDS AS FGFR KINASE INHIBITOR, PREPARATION AND USE THEREOF Shanghai Haihe Pharmaceutical Co., Ltd. (CN) 2017-06-28 — — EP disclosed
US-8269317-B2 Phosphorescent materials UNIVERSAL DISPLAY CORPORATION (US) 2012-09-18 — — US disclosed
WO-2012064499-A1 PHOSPHORESCENT MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2012-05-18 — — WO disclosed
US-20120119190-A1 PHOSPHORESCENT MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2012-05-17 — — 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-20120119190-A1 PHOSPHORESCENT MATERIALS RECQL, POLQ, IK ALDH1A1 3188/4885CYP1A1 2244/4885CYP1B1 2892/4885

“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