SCHEMBL18245340

SCHEMBL18245340

[C]#Cc1ccc(OCCCCC)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR5A1 Q13285 1/20 0.58
▸ LTA4H P09960 5/20 0.56
▸ TP53 P04637 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ PLA2G4B P0C869 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ RARB P10826 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47

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
SCHEMBL18244813 0.98 NR5A1 (0.61) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL1666914 0.96 LTA4H (0.53) NR5A1LTA4HTP53TSHRNPC1
SCHEMBL1860926 0.88 LTA4H (0.52) LTA4HTP53HPGDL3MBTL1NPC1
SCHEMBL3727389 0.85 NR5A1 (0.75) NR5A1LTA4HTP53TSHRPLA2G4B
1-Butyloxy-4-Pentoxybenzene SCHEMBL12827001 0.85 NR5A1 (0.75) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL2829024 0.83 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL10943900 0.83 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL1573968 0.83 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL8936597 0.83 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL5473083 0.83 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B

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
EP-3098226-B1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2018-12-12 — — EP disclosed
US-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2018-10-16 — — US disclosed
EP-3098226-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2016-11-30 — — EP disclosed
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 — — 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-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator BLM, HPRT1, BROX NR5A1 2568/4885LTA4H 2628/4885TP53 3619/4885
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR ENPP3, GNG2, ENPP1 NR5A1 3171/4885LTA4H 2593/4885TP53 3141/4885

“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