Sugi Predict

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SCHEMBL7189196

SCHEMBL7189196

Cc1cc(C)c(C(=O)P(=O)(CCC(C)C)c2ccccc2)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.55
▸ CFTR P13569 1/20 0.38
▸ PYGL P06737 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL6030600 0.92 ALDH1A1 (0.44) ALDH1A1CFTRLMNAPOLBKMT2A
SCHEMBL7181593 0.90 ALDH1A1 (0.53) ALDH1A1CFTRPOLBKMT2ASMN1; SMN2
SCHEMBL7189448 0.88 ALDH1A1 (0.48) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL7189925 0.86 ALDH1A1 (0.49) ALDH1A1CFTRPOLBKMT2ASMN1; SMN2
SCHEMBL7177532 0.86 ALDH1A1 (0.43) ALDH1A1CFTRLMNAPOLBKMT2A
SCHEMBL7182278 0.84 L3MBTL1 (0.41) ALDH1A1CFTRLMNAPOLBKMT2A
SCHEMBL6031070 0.84 NPSR1 (0.43) ALDH1A1CFTRLMNAPOLBKMT2A
SCHEMBL28191979 0.83 NPSR1 (0.42) ALDH1A1CFTRLMNAKMT2ASMN1; SMN2
SCHEMBL7182680 0.82 TSHR (0.41) CFTRLMNAPOLBKMT2ASMN1; SMN2
SCHEMBL7188939 0.82 ALDH1A1 (0.47) ALDH1A1

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
CN-1200943-C Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2005-05-11 — — CN disclosed
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
CN-1308081-A Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2001-08-15 — — CN 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 3416/4885CFTR 2596/4885PYGL 3959/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 ALDH1A1 3984/4885CFTR 3551/4885PYGL 4038/4885

“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.