SCHEMBL12581396

SCHEMBL12581396

Bc1c(OC)cc(OC)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ CYP1A2 P05177 8/20 0.45
▸ CYP3A4 P08684 6/20 0.45
▸ CYP1A1 P04798 7/20 0.43
▸ CYP1B1 Q16678 7/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ERN1 O75460 1/20 0.42
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41

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
SCHEMBL11938932 0.84 CYP3A4 (0.53) ALDH1A1CA12CA1CA2CA7
SCHEMBL19681306 0.80 CYP3A4 (0.38) ALDH1A1CA12CA1CA2CA7
SCHEMBL13076862 0.79 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP3A4CYP1A1CYP1B1
SCHEMBL8117527 0.78 ACHE (0.59) ALDH1A1CA12CA1CA2CA7
SCHEMBL1122691 0.78 TUBB4A (0.55) ALDH1A1CA12CA1CA2CA7
Difucol Hexamethyl Ether SCHEMBL505203 0.77 CYP1A2 (0.60) ALDH1A1CA12CA1CA2CA7
SCHEMBL8750267 0.76 GAA (0.48) ALDH1A1CA1CA2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5265528 0.76 ALDH1A1 (0.58) ALDH1A1CA12CA1CA2CA7
SCHEMBL862161 0.74 ALDH1A1 (0.56) ALDH1A1CA12CA1CA2CA7
SCHEMBL686849 0.74 CYP1A2 (0.64) ALDH1A1CA12CA1CA2CA7

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-2752935-A1 DYE-SENSITIZED SOLAR CELL AND SENSITIZING DYE National Institute for Materials Science (JP) 2014-07-09 — — EP disclosed
US-8278356-B2 — — 2012-10-02 — — US disclosed
US-20110142765-A1 NOVEL PHLOROGLUCINOL DERIVATIVES HAVING SELECTIN LIGAND ACTIVITY REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-06-16 — — US disclosed
US-7919532-B2 Chronic onstructive pulmonary disease; adult respiratory distress syndrome; antiinflammatory agents; skin disorders; autoimmune diseases; multiple sclerosis; antihistamines; inflammatory bowel disorders REVOTAR BIOPHARMACEUTICALS AG (DE) 2011-04-05 — — US disclosed
US-20080207741-A1 Novel Hydroxylated Aromatic Compounds REVOTAR BIOPHARMACEUTICALS AG (DE) 2008-08-28 — — 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 (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-20080207741-A1 Novel Hydroxylated Aromatic Compounds SELP, SELL, SELE ALDH1A1 71/4885CA12 3746/4885CA1 4550/4885
US-20110142765-A1 NOVEL PHLOROGLUCINOL DERIVATIVES HAVING SELECTIN LIGAND ACTIVITY SELPLG, SELP, SELL ALDH1A1 431/4885CA12 3936/4885CA1 4744/4885

“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.

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