Sugi Predict

Sugi Predict / Compounds / SCHEMBL7180897

SCHEMBL7180897

SCHEMBL7180897

Cc1cccc(C)c1C(=O)C(CCCP=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ GPR52 Q9Y2T5 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SLC6A9 P48067 5/20 0.34
▸ CCR5 P51681 4/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SLC6A5 Q9Y345 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7177336 0.96 L3MBTL1 (0.38) L3MBTL1GPR52LMNAHSD17B10MEN1
SCHEMBL7181114 0.92 L3MBTL1 (0.41) L3MBTL1GPR52LMNAHSD17B10MEN1
SCHEMBL7187044 0.91 KCNQ2 (0.40) L3MBTL1GPR52LMNACYP2C9CCR5
SCHEMBL7182688 0.89 SLC6A2 (0.35) L3MBTL1LMNAHSD17B10MEN1KMT2A
SCHEMBL7190234 0.87 KCNQ2 (0.39) L3MBTL1GPR52LMNACYP2C9CCR5
SCHEMBL7180850 0.86 CYP1A2 (0.34) LMNAHSD17B10MEN1CYP1A2CYP3A4
SCHEMBL7188866 0.85 ALDH1A1 (0.34) L3MBTL1LMNAHSD17B10MEN1CYP2C19
SCHEMBL7175023 0.84 LMNA (0.35) L3MBTL1LMNAHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL7183606 0.83 KCNQ2 (0.41) MEN1HPGDCYP2C19KMT2AALDH1A1
SCHEMBL7183549 0.83 KCNQ2 (0.41) L3MBTL1LMNAHSD17B10CYP2C9CCR5

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 L3MBTL1 302/4885GPR52 3194/4885LMNA 3241/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 L3MBTL1 126/4885GPR52 3263/4885LMNA 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.