SCHEMBL7182216

SCHEMBL7182216

CCCCC(CC)CP(=O)(C(=O)c1c(OC)cccc1OC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
PPARA Q07869 2/20 0.42
CA2 P00918 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL7182740 0.93 TAS1R3 (0.40) TSHRPPARACA2CYP3A4ALDH1A1
SCHEMBL7180870 0.92 CYP3A4 (0.40) TSHRPPARACA2CYP3A4ALDH1A1
SCHEMBL7185599 0.85 ALDH1A1 (0.40) TSHRCA2CYP3A4ALDH1A1MAPT
SCHEMBL7181134 0.84 ALDH1A1 (0.40) TSHRCA2CYP3A4ALDH1A1MAPT
SCHEMBL7185424 0.82 PPARA (0.48) TSHRPPARACA2CYP3A4ALDH1A1
SCHEMBL5996104 0.81 TSHR (0.42) TSHRPPARACA2CYP3A4ALDH1A1
SCHEMBL7182831 0.81 ALDH1A1 (0.40) TSHRCA2CYP3A4ALDH1A1MAPT
SCHEMBL7189797 0.81 TSHR (0.41) TSHRCA2CYP3A4ALDH1A1MAPT
SCHEMBL7175425 0.81 PPARA (0.50) TSHRPPARACA2CA12CA1
SCHEMBL5997118 0.81 TSHR (0.41) TSHRPPARACA2CYP3A4ALDH1A1

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 TSHR 984/4885PPARA 3039/4885CA2 2297/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 TSHR 1273/4885PPARA 2624/4885CA2 2346/4885

“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.