SCHEMBL7899580

SCHEMBL7899580

CC[C@@](O)(C(=O)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
CYP1A2 P05177 2/20 0.46
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GLS O94925 4/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
KIF11 P52732 1/20 0.42
KCNN4 O15554 1/20 0.42
CYP2C9 P11712 1/20 0.42
DRD2 P14416 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 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
SCHEMBL584028 1.00 CYP2C19 (0.47) CYP2C19HIF1ACYP1A2LMNAHTT
SCHEMBL5570579 1.00 CYP2C19 (0.47) CYP2C19HIF1ACYP1A2LMNAHTT
Ammonia Solution, Strong SCHEMBL3396016 0.98 CYP2C19 (0.45) CYP2C19HIF1ACYP1A2LMNAHTT
SCHEMBL22722995 0.90 CYP2C9 (0.58) LMNAHTTL3MBTL1MAPTKMT2A
SCHEMBL22722994 0.90 CYP2C9 (0.58) LMNAHTTL3MBTL1MAPTKMT2A
SCHEMBL14723764 0.84 CYP2C19 (0.45) CYP2C19HIF1ACYP1A2LMNAHTT
SCHEMBL28759248 0.84 CYP1A2 (0.43) CYP2C19HIF1ACYP1A2LMNACYP2D6
SCHEMBL10539630 0.84 MIF (0.48) CYP2C19HIF1ACYP1A2HTTL3MBTL1
SCHEMBL28133333 0.83 ACHE (0.46) CYP2C19HIF1ACYP1A2CYP2C9HDAC3
SCHEMBL8015531 0.83 CYP2C19 (0.46) CYP2C19HIF1ACYP1A2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10857517-B2 Porous chiral materials and uses thereof NANKAI UNIVERSITY (CN) 2020-12-08 US disclosed
CN-109689667-A Porous chiral material and use thereof 南开大学 2019-04-26 CN disclosed
US-6207862-B1 PRECURSORS ARE CHIRAL 4-HYDROXYCARBOXAMIDES, 4-HYDROXYHYDROXAMIC ACIDS, OR 4-HYDROXYHYDRAZIDES PRODUCED FROM GAMMA-LACTONES, WHICH IN TURN ARE DERIVED FROM 1,4-DIOLS BY STEREOSELECTIVE OXIDATION, BIOCATALYTICS, INC. 2001-03-27 US disclosed
EP-0009306-B1 ANTI-ARTHRITIC HYDROXYACETIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND PROCESSES FOR THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-24 EP disclosed
US-4310544-A Hydroxyacetic acid derivatives with anti-arthritic properties IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-01-12 US disclosed
EP-0009306-A1 Anti-arthritic hydroxyacetic acid derivatives, pharmaceutical compositions thereof, and processes for their manufacture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-04-02 EP 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 CYP2C19 1366/4885HIF1A 580/4885CYP1A2 1726/4885

“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.