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SCHEMBL7182877

SCHEMBL7182877

CC(C)COC(=O)C(C(=O)c1c(Cl)cccc1Cl)c1ccccc1.O=[PH3]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ TSHR P16473 2/20 0.44
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ POLB P06746 3/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HTR1D P28221 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GPR139 Q6DWJ6 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ADRB2 P07550 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NPY1R P25929 1/20 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
SCHEMBL7174628 0.93 ALDH1A1 (0.40) ALDH1A1TSHRNPC1RAB9AMMP8
SCHEMBL7177432 0.91 ALDH1A1 (0.39) ALDH1A1TSHRNPC1RAB9APOLB
SCHEMBL27561257 0.88 ALDH1A1 (0.40) ALDH1A1TSHRNPC1RAB9AMMP8
SCHEMBL7180656 0.87 SLC22A1 (0.42) ALDH1A1NPC1RAB9AMMP8POLB
SCHEMBL7182755 0.87 NPC1 (0.36) ALDH1A1NPC1RAB9AMMP8POLB
SCHEMBL7175563 0.86 MMP8 (0.54) ALDH1A1TSHRNPC1RAB9AMMP8
SCHEMBL27499346 0.86 ALDH1A1 (0.40) ALDH1A1TSHRPOLBSMN1; SMN2HTR1D
SCHEMBL7180529 0.85 ALDH1A1 (0.45) ALDH1A1TSHRMMP8HTTL3MBTL1
SCHEMBL7181898 0.84 ALDH1A1 (0.42) ALDH1A1NPC1RAB9AMMP8SMN1; SMN2
SCHEMBL7180879 0.84 NPC1 (0.39) ALDH1A1TSHRNPC1RAB9APOLB

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 ALDH1A1 3416/4885TSHR 984/4885NPC1 772/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 ALDH1A1 3984/4885TSHR 1273/4885NPC1 872/4885

“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.