SCHEMBL12270665

SCHEMBL12270665

Cc1ccc(B(OCCN)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.50
▸ CYP3A4 P08684 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ TRPM2 O94759 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.40
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ TRPV6 Q9H1D0 2/20 0.38
▸ ORAI1 Q96D31 1/20 0.38
▸ ORAI2 Q96SN7 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
SCHEMBL12319389 0.92 CYP1A2 (0.58) CYP1A2CYP3A4MEN1KMT2AKDM4E
SCHEMBL12270826 0.87 MAOB (0.55) CYP1A2CYP3A4MEN1KMT2AKDM4E
SCHEMBL12266236 0.87 CYP1A2 (0.64) CYP1A2CYP3A4MEN1KMT2AKDM4E
SCHEMBL12270971 0.85 CYP1A2 (0.42) CYP1A2CYP3A4MEN1KMT2AKDM4E
SCHEMBL12270408 0.82 LYPLA1 (0.49) KDM4EBCHEACHETRPV6ORAI1
SCHEMBL12266145 0.80 CYP1A2 (0.79) CYP1A2CYP3A4MEN1KMT2AKDM4E
SCHEMBL12266264 0.79 ALDH1A1 (0.51) CYP1A2CYP3A4MEN1KMT2AKDM4E
SCHEMBL12270733 0.79 MEN1 (0.36) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL12266259 0.79 MAOB (0.62) CYP1A2CYP3A4MEN1KMT2AKDM4E
SCHEMBL12266214 0.78 CYP1A2 (0.50) CYP1A2CYP3A4MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 — — US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 — — 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 CYP1A2 3629/4885CYP3A4 3743/4885MEN1 3255/4885

“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