SCHEMBL25168667

SCHEMBL25168667

O=C(O)CCCc1cccc(I)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ HDAC3 O15379 2/20 0.63
▸ HDAC4 P56524 2/20 0.63
▸ HDAC1 Q13547 2/20 0.63
▸ HDAC7 Q8WUI4 2/20 0.63
▸ HDAC2 Q92769 2/20 0.63
▸ HDAC10 Q969S8 2/20 0.63
▸ HDAC11 Q96DB2 2/20 0.63
▸ HDAC8 Q9BY41 2/20 0.63
▸ HDAC6 Q9UBN7 2/20 0.63
▸ HDAC9 Q9UKV0 2/20 0.63
▸ HDAC5 Q9UQL6 2/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ ADRA1A P35348 1/20 0.63
▸ SLC6A3 Q01959 1/20 0.63
▸ CYP1A2 P05177 2/20 0.56
▸ MAPT P10636 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51

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
SCHEMBL30805270 0.95 MAPT (0.62) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL10332840 0.93 MAPT (0.66) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8661713 0.93 MAPT (0.66) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1207329 0.89 KEAP1 (0.61) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL25342051 0.87 HDAC3 (0.76) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL933330 0.86 RAB9A (0.50) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5180708 0.84 ALDH1A1 (0.47) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL27691973 0.82 SMN1; SMN2 (0.63) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL13593303 0.81 ITGB3 (0.55) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5241784 0.80 IDO1 (0.54) SMN1; SMN2CYP1A2CYP2D6CYP2C19RAB9A

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
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 — — US disclosed
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 — — US disclosed
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 — — US disclosed
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-05-11 — — US disclosed
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-05-11 — — US disclosed
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-05-11 — — 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-11802135-B2 Lysophosphatidic acid derivative LPAR4, LPAR2, LPAR1 SMN1; SMN2 3474/4885HDAC3 2397/4885HDAC4 611/4885
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE LPAR4, LPAR2, LPAR1 SMN1; SMN2 3396/4885HDAC3 2507/4885HDAC4 672/4885

“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