SCHEMBL30451705

SCHEMBL30451705

O=C(Cc1ccccc1O)Cc1ccccc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.74
▸ HSPA5 P11021 1/20 0.56
▸ TSHR P16473 2/20 0.50
▸ HIF1A Q16665 2/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.48
▸ CA12 O43570 5/20 0.46
▸ CA2 P00918 5/20 0.46
▸ IDO1 P14902 2/20 0.46
▸ CA9 Q16790 3/20 0.45
▸ MPO P05164 1/20 0.45
▸ KEAP1 Q14145 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ GMNN O75496 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ FYN P06241 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
SCHEMBL1737314 1.00 AKR1B1 (0.74) AKR1B1HSPA5TSHRHIF1ACYP2D6
SCHEMBL4031727 0.89 AKR1B1 (0.67) AKR1B1HSPA5TSHRMPOLMNA
SCHEMBL4006576 0.89 AKR1B1 (0.65) AKR1B1HSPA5TSHRHIF1ACYP2D6
SCHEMBL8100591 0.87 AKR1B1 (0.69) AKR1B1HSPA5TSHRHIF1ACYP2D6
SCHEMBL30610413 0.87 AKR1B1 (0.63) AKR1B1HSPA5TSHRHIF1ACYP2D6
SCHEMBL156141 0.87 AKR1B1 (0.63) AKR1B1HSPA5TSHRHIF1ACYP2D6
SCHEMBL28125524 0.87 AKR1B1 (0.63) AKR1B1HSPA5TSHRHIF1ACYP2D6
SCHEMBL30449014 0.85 AKR1B1 (1.00) AKR1B1HSPA5TSHRHIF1ACYP2D6
SCHEMBL72309 0.85 AKR1B1 (1.00) AKR1B1HSPA5TSHRHIF1ACYP2D6
SCHEMBL2240152 0.83 AKR1B1 (0.59) AKR1B1HSPA5TSHRHIF1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116265440-B Salicylic ketone spliced pyridone compound and preparation method and application thereof 贵州大学 2024-09-27 — — CN claimed
CN-116265440-A Salicylic ketone spliced pyridone compound and preparation method and application thereof 贵州大学 2023-06-20 — — CN claimed
CN-116265440-B Salicylic ketone spliced pyridone compound and preparation method and application thereof 贵州大学 2024-09-27 — — CN disclosed
US-20240150379-A1 Boronated Multifunctional Targeting Drug Conjugates, Their Uses and Methods for Their Preparation HOVIONE SCIENTIA LIMITED (IE) 2024-05-09 — — US disclosed
CN-117534692-A Boron-containing multifunctional targeted drug conjugates, their use and methods of their preparation 好利安科技有限公司 2024-02-09 — — CN disclosed
US-11884687-B2 Boronated multifunctional targeting drug conjugates, their uses and methods for their preparation HOVIONE SCIENTIA LIMITED (IE) 2024-01-30 — — US disclosed
CN-110612303-B Boron-containing multifunctional targeted drug conjugates, their use and methods of their preparation 好利安科技有限公司 2023-11-10 — — CN disclosed
CN-116265440-A Salicylic ketone spliced pyridone compound and preparation method and application thereof 贵州大学 2023-06-20 — — CN 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-11884687-B2 Boronated multifunctional targeting drug conjugates, their uses and methods for their preparation FOLR2, FOLR1, ABCG2 AKR1B1 722/4885HSPA5 813/4885TSHR 433/4885
US-20240150379-A1 Boronated Multifunctional Targeting Drug Conjugates, Their Uses and Methods for Their Preparation FOLR2, FOLR1, ABCG2 AKR1B1 722/4885HSPA5 813/4885TSHR 433/4885

“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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