Sugi Predict

Sugi Predict / Compounds / SCHEMBL5598912

SCHEMBL5598912

SCHEMBL5598912

COc1cc(/C=C/C(=O)c2ccccc2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCL12 P48061 9/20 0.82
▸ CXCR4 P61073 1/20 0.76
▸ PTGS1 P23219 1/20 0.73
▸ PTGS2 P35354 1/20 0.73
▸ TUBB4A P04350 1/20 0.73
▸ TUBB P07437 1/20 0.73
▸ TUBA3C P0DPH7 1/20 0.73
▸ TUBA1B P68363 1/20 0.73
▸ TUBA4A P68366 1/20 0.73
▸ TUBB4B P68371 1/20 0.73
▸ TUBB3 Q13509 1/20 0.73
▸ TUBB2A Q13885 1/20 0.73
▸ TUBB8 Q3ZCM7 1/20 0.73
▸ TUBA3E Q6PEY2 1/20 0.73
▸ TUBA1A Q71U36 1/20 0.73
▸ TUBA1C Q9BQE3 1/20 0.73
▸ TUBB6 Q9BUF5 1/20 0.73
▸ TUBB2B Q9BVA1 1/20 0.73
▸ TUBB1 Q9H4B7 1/20 0.73
▸ KDM4E B2RXH2 1/20 0.71

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
SCHEMBL30383874 1.00 CXCL12 (0.82) CXCL12CXCR4PTGS1PTGS2TUBB4A
SCHEMBL25240333 1.00 CXCL12 (0.82) CXCL12CXCR4PTGS1PTGS2TUBB4A
SCHEMBL2032114 1.00 CXCL12 (0.82) CXCL12CXCR4PTGS1PTGS2TUBB4A
SCHEMBL31233039 1.00 CXCL12 (0.82) CXCL12CXCR4PTGS1PTGS2TUBB4A
SCHEMBL12677857 0.93 CXCL12 (0.89) CXCL12CXCR4TUBB4ATUBBTUBA3C
SCHEMBL25193952 0.93 CXCL12 (0.89) CXCL12CXCR4TUBB4ATUBBTUBA3C
SCHEMBL30384490 0.93 CXCL12 (0.89) CXCL12CXCR4TUBB4ATUBBTUBA3C
SCHEMBL25196612 0.92 CXCL12 (0.79) CXCL12CXCR4PTGS1PTGS2TUBB4A
SCHEMBL25203906 0.92 CXCL12 (0.79) CXCL12CXCR4PTGS1PTGS2TUBB4A
SCHEMBL597849 0.89 CAPN1 (0.82) CXCL12CXCR4TUBB4ATUBBTUBA3C

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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109665969-B 3-methoxy-4-hydroxychalcone bis-Mannich base compound, and preparation method and application thereof 四川大学 2022-04-22 — — CN claimed
US-20220152001-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2022-05-19 — — US disclosed
CN-109665969-B 3-methoxy-4-hydroxychalcone bis-Mannich base compound, and preparation method and application thereof 四川大学 2022-04-22 — — CN disclosed
CN-109665969-B 3-methoxy-4-hydroxychalcone bis-Mannich base compound, and preparation method and application thereof 四川大学 2022-04-22 — — CN disclosed
CN-109665969-B 3-methoxy-4-hydroxychalcone bis-Mannich base compound, and preparation method and application thereof 四川大学 2022-04-22 — — CN disclosed
US-11046657-B2 Pyrimidinone derivatives and uses thereof to neutralize the biological activity of chemokines CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-06-29 — — US disclosed
US-11046657-B2 Pyrimidinone derivatives and uses thereof to neutralize the biological activity of chemokines CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-06-29 — — US disclosed
US-20200383958-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2020-12-10 — — US disclosed
US-10751330-B2 Human therapeutic agents ANKH LIFE SCIENCES LIMITED (IE) 2020-08-25 — — US disclosed
US-10744124-B2 Human therapeutic agents ANKH LIFE SCIENCES LIMITED (IE) 2020-08-18 — — US disclosed
US-8273822-B2 Reversible thermochromic compositions BASF SE (DE) 2012-09-25 — — US disclosed
WO-2011085098-A2 COLOR CHANGE OF CHALCONE-CONTAINING ORAL CARE FORMULATIONS COLGATE-PALMOLIVE COMPANY (US) 2011-07-14 — — WO disclosed
EP-1979435-B1 REVERSIBLE THERMOCHROMIC COMPOSITIONS BASF SE (DE) 2011-05-25 — — EP disclosed
US-20100234522-A1 Reversible Thermochromic Compositions CIBA CORPORATION 2010-09-16 — — US disclosed
US-20100234522-A1 Reversible Thermochromic Compositions CIBA CORPORATION 2010-09-16 — — US disclosed
WO-2007085636-A1 REVERSIBLE THERMOCHROMIC COMPOSITIONS CIBA HOLDING INC. (CH) 2007-08-02 — — WO disclosed
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 2007-03-15 — — US disclosed
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 2007-03-15 — — US disclosed
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 2007-03-15 — — US disclosed
US-20060276536-A1 Cancer treatment using curcumin derivatives STC.UNM 2006-12-07 — — 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 (7 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-10744124-B2 Human therapeutic agents INMT, HNMT, HASPIN CXCL12 3843/4885CXCR4 4281/4885PTGS1 2462/4885
US-20070060644-A1 Therapeutic curcumin derivatives FABP2, GLS2, FABP1 CXCL12 2113/4885CXCR4 3715/4885PTGS1 153/4885
US-10751330-B2 Human therapeutic agents INMT, HNMT, HASPIN CXCL12 3843/4885CXCR4 4281/4885PTGS1 2462/4885
US-11046657-B2 Pyrimidinone derivatives and uses thereof to neutralize the biological activity of chemokines CCL5, CXCR3, CXCL10 CXCL12 18/4885CXCR4 12/4885PTGS1 178/4885
US-20220152001-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN CXCL12 3843/4885CXCR4 4281/4885PTGS1 2462/4885
US-20200383958-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN CXCL12 3843/4885CXCR4 4281/4885PTGS1 2462/4885
US-20060276536-A1 Cancer treatment using curcumin derivatives BRCA1, VHL, TP53 CXCL12 2895/4885CXCR4 4576/4885PTGS1 120/4885

“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.