Sugi Predict

Sugi Predict / Compounds / SCHEMBL7174871

SCHEMBL7174871

SCHEMBL7174871

CC(C)CC[P](=O)c1ccccc1C(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ RORC P51449 4/20 0.35
▸ GABRP O00591 2/20 0.35
▸ GABRD O14764 2/20 0.35
▸ GABRA1 P14867 2/20 0.35
▸ GABRB1 P18505 2/20 0.35
▸ GABRG2 P18507 2/20 0.35
▸ GABRB3 P28472 2/20 0.35
▸ GABRA5 P31644 2/20 0.35
▸ GABRA3 P34903 2/20 0.35
▸ GABRA2 P47869 2/20 0.35
▸ GABRB2 P47870 2/20 0.35
▸ GABRA4 P48169 2/20 0.35

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
SCHEMBL7186443 0.88 CNR2 (0.39) CNR2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7181597 0.85 P2RX7 (0.36) CNR2ALDH1A1MEN1KMT2AHPGD
SCHEMBL7177581 0.83 CNR2 (0.47) CNR2LMNAHPGDCNR1GABRP
SCHEMBL7184591 0.82 HTT (0.40) CNR2ALDH1A1KMT2AHPGDCNR1
SCHEMBL7177874 0.81 SCD (0.36) CNR2ALDH1A1LMNAHPGDGAA
SCHEMBL7188569 0.80 CNR2 (0.41) CNR2ALDH1A1LMNACNR1RORC
SCHEMBL7189206 0.80 KMT2A (0.40) CNR2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7189090 0.80 CNR2 (0.35) CNR2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7181413 0.78 CNR2 (0.40) CNR2ALDH1A1LMNAHPGDCNR1
SCHEMBL7189935 0.78 ALDH1A1 (0.33) CNR2ALDH1A1MEN1KMT2ACNR1

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 CNR2 1721/4885ALDH1A1 3416/4885LMNA 3241/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 CNR2 1343/4885ALDH1A1 3984/4885LMNA 3247/4885

“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.