SCHEMBL18304582

SCHEMBL18304582

CC(=Cc1ccccc1)B(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
AKR1C3 P42330 1/20 0.50
FBP1 P09467 1/20 0.45
CA1 P00915 1/20 0.43
KDM1A O60341 1/20 0.42
RECQL P46063 1/20 0.42
HTT P42858 1/20 0.41
GLA P06280 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AKR1C1 Q04828 1/20 0.39
ESR1 P03372 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL18304581 1.00 ALDH1A1 (0.50) ALDH1A1TSHRAKR1C3FBP1CA1
SCHEMBL60657 0.74 ALDH1A1 (0.58) ALDH1A1TSHRAKR1C3FBP1KDM1A
SCHEMBL8557597 0.74 ALDH1A1 (0.58) ALDH1A1TSHRAKR1C3FBP1KDM1A
Benzene SCHEMBL27597826 0.74 ALDH1A1 (0.58) ALDH1A1TSHRAKR1C3FBP1KDM1A
SCHEMBL6433811 0.74 AKR1C3 (0.73) ALDH1A1TSHRAKR1C3FBP1KDM1A
SCHEMBL23458002 0.74 AKR1C3 (0.73) ALDH1A1TSHRAKR1C3FBP1KDM1A
SCHEMBL598776 0.74 ALDH1A1 (0.58) ALDH1A1TSHRAKR1C3FBP1KDM1A
Ammonia Solution, Strong SCHEMBL28447731 0.72 ALDH1A1 (0.56) ALDH1A1TSHRAKR1C3FBP1KDM1A
SCHEMBL11801120 0.72 ALDH1A1 (0.56) ALDH1A1TSHRAKR1C3FBP1KDM1A
SCHEMBL27855636 0.72 ALDH1A1 (0.56) ALDH1A1TSHRAKR1C3FBP1KDM1A

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-10464861-B2 Asymmetric addition reactions OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-11-05 US disclosed
EP-3307698-B1 ASYMMETRIC ADDITION REACTIONS UNIV OXFORD INNOVATION LTD (GB) 2019-09-18 EP disclosed
US-20180334414-A1 ASYMMETRIC ADDITION REACTIONS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2018-11-22 US disclosed
EP-3307698-A1 ASYMMETRIC ADDITION REACTIONS Oxford University Innovation Limited (GB) 2018-04-18 EP disclosed
WO-2016198836-A1 ASYMMETRIC ADDITION REACTIONS ISIS INNOVATION LIMITED (GB) 2016-12-15 WO 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-10464861-B2 Asymmetric addition reactions CSPP1, CCRL2, CBR3 ALDH1A1 1009/4885TSHR 4030/4885AKR1C3 731/4885
US-20180334414-A1 ASYMMETRIC ADDITION REACTIONS CSPP1, CCRL2, CBR3 ALDH1A1 1009/4885TSHR 4030/4885AKR1C3 731/4885

“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.