SCHEMBL25922307

SCHEMBL25922307

CCCCOc1ccc(C[C@H](C)c2ncc(C)o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.41
CYP2C19 P33261 3/20 0.41
CYP19A1 P11511 2/20 0.41
CYP1A2 P05177 1/20 0.41
ACACB O00763 1/20 0.41
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
FAAH O00519 1/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.39
PLA2G2A P14555 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 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
SCHEMBL25064858 0.75
SCHEMBL5018832 0.72 KDM4E (0.53) CYP1A2ACACBCYP2D6KDM4ETSHR
SCHEMBL10084809 0.70 SLC6A4 (0.61) ACACB
SCHEMBL3027942 0.70 NR5A1 (0.55) CYP1A2ACACBCYP2D6KDM4ENPC1
SCHEMBL9373992 0.70 KDM4E (0.54) CYP1A2ACACBCYP2D6KDM4EALDH1A1
SCHEMBL14113378 0.68 NR5A1 (0.58) ACACBNPC1TSHRRAB9A
SCHEMBL9173456 0.68 NR5A1 (0.58) ACACBNPC1TSHRRAB9A
SCHEMBL8860736 0.68 NR5A1 (0.58) ACACBNPC1TSHRRAB9A
SCHEMBL14113384 0.68 NR5A1 (0.58) ACACBNPC1TSHRRAB9A
SCHEMBL10084810 0.67 ACACB (0.58) ACACBADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234924-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2023-07-27 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-20230234924-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 YAP1, YES1, MYC CYP2C9 4485/4885CYP2C19 4842/4885CYP19A1 4630/4885

“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.