SCHEMBL18642003

SCHEMBL18642003

CC(C)(C)c1ccc2[nH]c3c(C(=O)O)cc(C(C)(C)C)cc3c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.55
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRA6 Q16445 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
RXRB P28702 1/20 0.39
PBRM1 Q86U86 1/20 0.39
GHSR Q92847 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NR1H4 Q96RI1 1/20 0.38
AKR1C2 P52895 3/20 0.37
AKR1C3 P42330 2/20 0.37

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
SCHEMBL7567087 0.80 PBRM1 (0.64) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL2054593 0.78 KDM4E (0.61) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL19991636 0.76 KIF11 (0.53) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL30902218 0.75 KIF11 (0.56) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL29748862 0.75 KIF11 (0.56) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL2054605 0.75 F7 (0.58) KIF11TDP1MEN1KMT2AKDM4E
SCHEMBL15880058 0.75 KIF11 (0.56) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL29655448 0.75 KIF11 (0.56) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL20845513 0.75 KIF11 (0.56) KIF11GABRA1GABRG2GABRB3GABRA5
Methyl Alcohol SCHEMBL4018989 0.75 KIF11 (0.75) KIF11GABRA1GABRG2GABRB3GABRA5

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
US-10700295-B2 Metal complexes UEA ENTERPRISES LIMITED (GB) 2020-06-30 US claimed
US-20190131549-A1 METAL COMPLEXES UEA ENTERPRISES LIMITED (GB) 2019-05-02 US claimed
EP-3350189-A1 METAL COMPLEXES UEA Enterprises Limited (GB) 2018-07-25 EP claimed
WO-2017046572-A1 METAL COMPLEXES UNIVERSITY OF EAST ANGLIA (GB) 2017-03-23 WO claimed
CN-108699086-B Metal complexes UEA企业有限公司 2021-08-20 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-20190131549-A1 METAL COMPLEXES AP1M1, AP2M1, APOL1 KIF11 3388/4885GABRA1 3408/4885GABRG2 3251/4885
US-10700295-B2 Metal complexes AP1M1, AP2M1, APOL1 KIF11 3388/4885GABRA1 3408/4885GABRG2 3251/4885

“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.