SCHEMBL22722991

SCHEMBL22722991

O=C(O)C(O)(c1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.96
▸ CYP2D6 P10635 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ PTPN5 P54829 1/20 0.47
▸ KIF11 P52732 3/20 0.46
▸ SLC13A5 Q86YT5 1/20 0.46
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ DNMT1 P26358 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ABCC4 O15439 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL22722990 1.00 CYP2C9 (0.96) CYP2C9CYP2D6HIF1APTPN5KIF11
SCHEMBL22722997 1.00 CYP2C9 (0.96) CYP2C9CYP2D6HIF1APTPN5KIF11
SCHEMBL12168365 0.98 CYP2C9 (1.00) CYP2C9CYP2D6HIF1APTPN5KIF11
Benzylic Acid SCHEMBL7066 0.89 CYP2C9 (0.74) CYP2C9CYP2D6HIF1ACYP1A2MAPT
Benzylic Acid SCHEMBL868225 0.86 CYP2C9 (0.71) CYP2C9CYP2D6HIF1ACYP1A2MAPT
Benzylic Acid SCHEMBL633586 0.86 CYP2C9 (0.71) CYP2C9CYP2D6HIF1ACYP1A2MAPT
Benzylic Acid SCHEMBL9183670 0.86 CYP2C9 (0.71) CYP2C9CYP2D6HIF1ACYP1A2MAPT
Benzylic Acid SCHEMBL9181231 0.86 CYP2C9 (0.71) CYP2C9CYP2D6HIF1ACYP1A2MAPT
Benzylic Acid SCHEMBL2810363 0.86 CYP2C9 (0.71) CYP2C9CYP2D6HIF1ACYP1A2MAPT
Benzylic Acid SCHEMBL20957595 0.86 CYP2C9 (0.71) CYP2C9CYP2D6HIF1ACYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115108901-A Synthetic method of alpha-hydroxycarboxylic acid compound 四川大学 2022-09-27 — — CN disclosed
CN-109689667-B Porous chiral material and use thereof 南开大学 2022-07-12 — — CN disclosed
US-10857517-B2 Porous chiral materials and uses thereof NANKAI UNIVERSITY (CN) 2020-12-08 — — 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-10857517-B2 Porous chiral materials and uses thereof ANXA7, XDH, OPRM1 CYP2C9 1318/4885CYP2D6 1864/4885HIF1A 580/4885

“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