SCHEMBL6319485

SCHEMBL6319485

COc1ccc2cc(C=C(CNc3cnc(C)cn3)P3(=O)CC[C@@H](C)C3)sc2c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.36
CHRNA7 P36544 3/20 0.34
ITK Q08881 3/20 0.33
MAPT P10636 4/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
LMNA P02545 3/20 0.31
WNT3A P56704 2/20 0.31
TP53 P04637 2/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
P2RX3 P56373 1/20 0.30

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
SCHEMBL6319871 0.66 ABL1 (0.35) ABL1CHRNA7
SCHEMBL6326060 0.65 ABL1 (0.33) ABL1ITKMAPTNPC1RAB9A
SCHEMBL6324560 0.62 ABL1 (0.33) ABL1
SCHEMBL6318633 0.59 MAPT (0.34) ABL1CHRNA7MAPTNPC1RAB9A
SCHEMBL6325628 0.59 NPC1 (0.31) ITKMAPTNPC1RAB9ALMNA
SCHEMBL13632617 0.59 CA2 (0.54) MAPTALDH1A1TSHRCYP2C19SMN1; SMN2
SCHEMBL13632618 0.58 CA2 (0.41) CHRNA7ITKMAPTNPC1RAB9A
SCHEMBL9808648 0.56 CA2 (0.47) CHRNA7MAPTRAB9ALMNATP53
SCHEMBL8599290 0.56 CHRNA7 (0.42) ABL1CHRNA7ITKMAPTNPC1
SCHEMBL4444144 0.55 CA2 (0.46) CHRNA7CYP2C19

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6972271-B2 Supported catalyst systems HONEYWELL INTERNATIONAL INC. (US) 2005-12-06 US claimed
US-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels QUATRX PHARMACEUTICALS CO. 2005-06-30 US claimed
US-20050107246-A1 Supported catalyst systems HONEYWELL INTERNATIONAL, INC. (US) 2005-05-19 US claimed
US-20020123423-A1 Supported catalyst systems HONEYWELL INTERNATIONAL INC. 2002-09-05 US claimed
US-5959151-A Process for the purification of pentafluorophenyl boron compounds ALBEMARLE CORPORATION (US) 1999-09-28 US claimed
US-6972271-B2 Supported catalyst systems HONEYWELL INTERNATIONAL INC. (US) 2005-12-06 US disclosed
US-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels QUATRX PHARMACEUTICALS CO. 2005-06-30 US disclosed
US-20050107246-A1 Supported catalyst systems HONEYWELL INTERNATIONAL, INC. (US) 2005-05-19 US disclosed
US-20020123423-A1 Supported catalyst systems HONEYWELL INTERNATIONAL INC. 2002-09-05 US disclosed
US-5602217-A INCREASING THE YIELD BY CATALYTIC ADDITIONAL POLYMERIZING IN PRESENCE OF AT LEAST ONE METALLOCENE AND ONE AGED ALUMOXANE EXXON CHEMICAL PATENTS INC. (US) 1997-02-11 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 (1 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-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels APOB, LDLR, LPL ABL1 3173/4885CHRNA7 4437/4885ITK 4731/4885

“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.