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SCHEMBL7184637

SCHEMBL7184637

Cc1cccc(C)c1C(=O)Pc1ccc(OCCC(C)C)cc1OCCC(C)C.[LiH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ NR1H4 Q96RI1 2/20 0.39
▸ GALR3 O60755 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ PDK2 Q15119 1/20 0.38
▸ TP53 P04637 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX5 P09917 2/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ S1PR5 Q9H228 1/20 0.37
▸ PPARG P37231 2/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ PTGES O14684 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL7188683 0.93 S1PR1 (0.38) MAPK1EPHX2HTTNR1H4GALR3
SCHEMBL7182736 0.91 MAPK1 (0.41) MAPK1EPHX2HTTNR1H4GALR3
SCHEMBL7187020 0.91 MAPK1 (0.43) MAPK1EPHX2HTTNR1H4GALR3
SCHEMBL7189819 0.89 S1PR1 (0.41) MAPK1EPHX2HTTNR1H4GALR3
SCHEMBL7182347 0.88 MAPK1 (0.39) MAPK1EPHX2HTTNR1H4GALR3
SCHEMBL7186811 0.88 HTT (0.41) MAPK1EPHX2HTTNR1H4GALR3
SCHEMBL7188708 0.87 PPARG (0.43) TP53ALOX5PPARGPPARAPTGES
SCHEMBL7179721 0.87 KMT2A (0.43) TP53MAPTALOX5PPARGPPARA
SCHEMBL7179801 0.87 MAPK1 (0.40) MAPK1EPHX2HTTNR1H4GALR3
SCHEMBL7181161 0.86 TDP1 (0.41) MAPTPPARGPPARAPPARDTDP1

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-6579663-B2 Chemical intermediates such as lithium 2,6-dimethylbenzoyl phenylphosphine for preparation of acylphosphines, acylphosphine oxides or acylphosphine sulfides CIBA SPECIALTY CHEMICALS CORPORATION 2003-06-17 — — US disclosed
US-20020107413-A1 Organometallic monoacylarylphosphines WOLF JEAN-PIERRE (CH) 2002-08-08 — — US disclosed
US-6399805-B2 SUCH AS LITHIUM 2,6-DIMETHYLBENZOYLPHENYLPHOSPHINE, USE AS PHOTOINITIATORS IN PHOTOCURABLE COMPOSITIONS SUCH AS FOR PHOTOGRAPHIC PRODUCTION OF RELIEF IMAGES CIBA SPECIALTY CHEMICALS CORPORATION 2002-06-04 — — US disclosed
US-20010031898-A1 Organometallic monoacylarylphosphines CIBA SPECIALTY CHEMICALS CORP. 2001-10-18 — — 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-20020107413-A1 Organometallic monoacylarylphosphines CBR1, NAF1, DHCR24 MAPK1 1801/4885EPHX2 2476/4885HTT 2802/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 MAPK1 2710/4885EPHX2 2048/4885HTT 2393/4885

“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.