SCHEMBL25456789

SCHEMBL25456789

COc1ccc(CN(CCOP(=O)(O)O)C(=O)CCCCc2ccc(OCCCCc3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 7/20 0.51
▸ S1PR3 Q99500 7/20 0.51
▸ S1PR4 O95977 6/20 0.51
▸ S1PR5 Q9H228 6/20 0.51
▸ ALOX5 P09917 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ LPAR1 Q92633 3/20 0.46
▸ FFAR1 O14842 1/20 0.45
▸ HDAC3 O15379 3/20 0.44
▸ HDAC4 P56524 3/20 0.44
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC7 Q8WUI4 3/20 0.44
▸ HDAC2 Q92769 3/20 0.44
▸ HDAC10 Q969S8 3/20 0.44
▸ HDAC11 Q96DB2 3/20 0.44

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
Ammonia Solution, Strong SCHEMBL25167618 0.99 S1PR1 (0.51) S1PR1S1PR3S1PR4S1PR5ALOX5
SCHEMBL25456787 0.97 S1PR1 (0.49) S1PR1S1PR3S1PR4S1PR5ALOX5
Ammonia Solution, Strong SCHEMBL25169992 0.96 S1PR1 (0.48) S1PR1S1PR3S1PR4S1PR5ALOX5
Ammonia Solution, Strong SCHEMBL25175635 0.94 ALOX5 (0.52) S1PR1S1PR3S1PR4S1PR5ALOX5
SCHEMBL25456753 0.94 ALOX5 (0.52) S1PR1S1PR3S1PR4S1PR5ALOX5
Ammonia Solution, Strong SCHEMBL25172939 0.93 ALOX5 (0.51) S1PR1S1PR3S1PR4S1PR5ALOX5
Ammonia Solution, Strong SCHEMBL25173211 0.92 SLC2A1 (0.47) S1PR1S1PR3S1PR4S1PR5ALOX5
SCHEMBL25456788 0.91 ALOX5 (0.48) S1PR1S1PR3S1PR4S1PR5ALOX5
SCHEMBL25456779 0.90 SLC2A1 (0.51) S1PR1S1PR3S1PR4S1PR5ALOX5
SCHEMBL25456761 0.89 SLC2A1 (0.51) S1PR1S1PR3ALOX5NPC1LMNA

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 4 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-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 S1PR1 32/4885S1PR3 27/4885S1PR4 12/4885
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE LPAR4, LPAR2, LPAR1 S1PR1 31/4885S1PR3 25/4885S1PR4 12/4885

“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