SCHEMBL30122993

SCHEMBL30122993

c1ccc2c(c1)OCCn1nccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
PIK3CA P42336 1/20 0.38
AKT1 P31749 6/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA5 P31644 3/20 0.38
ADORA3 P0DMS8 1/20 0.37
DRD1 P21728 1/20 0.37
SLC5A7 Q9GZV3 1/20 0.37
ROCK2 O75116 4/20 0.37
LMNA P02545 2/20 0.35
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
NOTUM Q6P988 1/20 0.35

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
SCHEMBL14212421 1.00 ITGB2 (0.39) ITGB2ICAM1ITGALPIK3CAAKT1
SCHEMBL14126188 0.82 GABRG2 (0.39) ITGB2ICAM1ITGALAKT1GABRG2
SCHEMBL14979000 0.74 KDM4E (0.38) ITGB2ICAM1ITGALPIK3CAADORA3
SCHEMBL3549357 0.74 KMT2A (0.33) AKT1ROCK2KMT2A
SCHEMBL1948376 0.73 IDO1 (0.50) ITGB2ICAM1ITGALPIK3CAADORA3
SCHEMBL9974749 0.72 PIK3CA (0.39) ITGB2ICAM1ITGALPIK3CAADORA3
SCHEMBL9966172 0.71 GRM5 (0.39) PIK3CAADORA3DRD1SLC5A7NOTUM
SCHEMBL9963883 0.71 ADORA3 (0.35) ITGB2ICAM1ITGALPIK3CAADORA3
SCHEMBL12611427 0.70 PIK3CA (0.47) ITGB2ICAM1ITGALPIK3CAADORA3
SCHEMBL21650118 0.69 PIK3CA (0.37) ITGB2ICAM1ITGALPIK3CAADORA3

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-4103161-B1 COMPOSITIONS AND USES THEREOF BENEVOLENTAI CAMBRIDGE LTD (GB) 2023-12-20 EP disclosed
US-20230149385-A1 COMPOSITIONS AND USES THEREOF Benevolentai Cambridge Limited (GB) 2023-05-18 US disclosed
EP-4103161-A1 COMPOSITIONS AND USES THEREOF BenevolentAI Cambridge Limited (GB) 2022-12-21 EP disclosed
CN-115484938-A Composition and use thereof 博善人工智能剑桥有限公司 2022-12-16 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 (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-20230149385-A1 COMPOSITIONS AND USES THEREOF PDE2A, PDE3A, PDE3B ITGB2 1190/4885ICAM1 1226/4885ITGAL 1052/4885

“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.