SCHEMBL4365780

SCHEMBL4365780

C[C@H](C(=O)O)C(C)(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
KIF11 P52732 7/20 0.43
KCNN4 O15554 1/20 0.41
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL430340 1.00 CYP1A2 (0.47) CYP1A2CYP2D6MAPTKMT2ACYP2C19
Acetic Acid SCHEMBL8962478 0.96 CYP1A2 (0.44) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL27389193 0.83 CYP1A2 (0.44) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL16314168 0.83 MAPT (0.53) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL28755135 0.82 KIF11 (0.40) CYP2D6HIF1AKIF11
SCHEMBL20184853 0.81 CYP2D6 (0.46) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL20184852 0.81 CYP2D6 (0.46) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL9683891 0.81 CYP2D6 (0.46) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL17582896 0.81 CYP2D6 (0.46) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL25432602 0.80 KMT2A (0.48) CYP1A2CYP2D6MAPTKMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019031614-A1 ANTIBODY-DRUG CONJUGATES INCLUDING HEMIASTERLIN DERIVATIVE 大日本住友製薬株式会社 2019-02-14 WO disclosed
US-7626023-B2 Compounds for treating tumors WYETH (US) 2009-12-01 US disclosed
US-20080221181-A1 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2008-09-11 US disclosed
US-7390910-B2 Compounds for treating tumors WYETH (US) 2008-06-24 US disclosed
WO-2005016958-A2 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2005-02-24 WO disclosed
US-20050037977-A1 Compounds for treating tumors WYETH HOLDINGS CORPORATION (US) 2005-02-17 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 (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-20080221181-A1 COMPOUNDS FOR TREATING TUMORS RB1, MRPL9, BCOR CYP1A2 2405/4885CYP2D6 1863/4885MAPT 4780/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR CYP1A2 2405/4885CYP2D6 1863/4885MAPT 4780/4885

“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.