SCHEMBL210358

SCHEMBL210358

COc1cc(I)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.59
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
CA9 Q16790 1/20 0.56
PTGS2 P35354 1/20 0.52
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP1B1 Q16678 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TUBB4A P04350 4/20 0.43
TUBB P07437 4/20 0.43
TUBA3C P0DPH7 4/20 0.43
TUBA1B P68363 4/20 0.43
TUBA4A P68366 4/20 0.43

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
SCHEMBL15183455 0.85 ACHE (0.50) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL30927177 0.84 TPMT (0.53) ACHECYP3A4MAPTCA9TUBB4A
SCHEMBL29215248 0.84 TPMT (0.53) ACHECYP3A4MAPTCA9TUBB4A
SCHEMBL27743867 0.80 MAPT (0.38) ACHECYP3A4MAPTCA9HTR2A
SCHEMBL5208819 0.79 HTR2A (0.56) ACHEMAPTPTGS2HTR2AHTR2C
SCHEMBL5240307 0.79 ACHE (0.38) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL4114610 0.79 GAA (0.42) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL31538448 0.79 ERN1 (0.49) ACHECYP3A4MAPTCYP1A2KDM4E
SCHEMBL28295701 0.79 ERN1 (0.49) ACHECYP3A4MAPTCYP1A2KDM4E
SCHEMBL19351317 0.79 ACHE (0.59) ACHECYP3A4MAPTCA9PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250188072-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2025-06-12 US disclosed
US-12187720-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2025-01-07 US disclosed
US-20240368183-A1 Macrocyclic Compounds Having ENT1 Inhibiting Activity iTeos Belgium SA (BE) 2024-11-07 US disclosed
US-20240352307-A1 ACCESSING AND MODULATING THE COLOR AND VIBRANCY OF ANODICALLY COLORING ELECTROCHROMIC MOLECULES GEORGIA TECH RESEARCH CORPORATION 2024-10-24 US disclosed
EP-4413004-A1 MACROCYCLIC COMPOUNDS HAVING ENT1 INHIBITING ACTIVITY iTeos Belgium SA (BE) 2024-08-14 EP disclosed
CN-118076610-A Macrocyclic compounds with ENT1 inhibitory activity ITEOS比利时公司 2024-05-24 CN disclosed
WO-2023142486-A1 BORON-NITROGEN COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 季华恒烨(佛山)电子材料有限公司 2023-08-03 WO disclosed
WO-2023142485-A1 BORON-NITROGEN COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 季华恒烨(佛山)电子材料有限公司 2023-08-03 WO disclosed
WO-2023059739-A1 MACROCYCLIC COMPOUNDS HAVING ENT1 INHIBITING ACTIVITY iTeos Belgium SA (US) 2023-04-13 WO disclosed
US-11478445-B2 Method for treating acute myeloid leukemia BIONOMICS LTD. (AU) 2022-10-25 US disclosed
US-6498169-B1 CELL ADHESION AND INFILTRATION INHIBITORS; ANTIASTHMATICS, ANTIALLERGENS, ANTIRHEUMATICS, ANTIARTERIOSCLEROTICS, ANTIINFLAMMATORIES AND ANTI SJOGREN'S SYNDROME AGENTS KOWA CO., LTD. (JP) 2002-12-24 US disclosed
WO-2002060872-A1 SYNTHESIS FOR THE PREPARATION OF COMPOUNDS FOR SCREENING AS POTENTIAL TUBULIN BINDING AGENTS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2002-08-08 WO disclosed
US-6395753-B1 ANTIHISTAMINES, ANTIALLERGENS, ANTIARTHRITIC AGENTS KOWA CO., LTD. (JP) 2002-05-28 US disclosed
US-20020042414-A1 Diamide compound and medicine containing the same KOWA CO., LTD. (JP) 2002-04-11 US disclosed
US-6340682-B1 FOR THERAPY OF ALLERGIC IMMUNOLOGICAL DISEASE IS SELECTED FROM ASTHMA, ALLERGIC RHINITIS, INFLAMMATORY LARGE BOWEL DISEASE OR CONTACT DERMATITIS KOWA CO., LTD. (JP) 2002-01-22 US disclosed
EP-1103554-A1 Derivatives of dihydrofuro-(3,4-b)-quinolein-1-ones, process of préparation and phamaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-05-30 EP disclosed
EP-0926138-A1 DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-06-30 EP disclosed
EP-0790993-A1 NONPEPTIDE ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-08-27 EP disclosed
WO-1996015125-A1 NONPEPTIDE ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-05-23 WO disclosed
US-5482960-A Nonpeptide endothelin antagonists WARNER-LAMBERT COMPANY (US) 1996-01-09 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 (6 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-12187720-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 ACHE 3555/4885CYP3A4 4225/4885MAPT 2614/4885
US-20240368183-A1 Macrocyclic Compounds Having ENT1 Inhibiting Activity ENTPD5, ENTPD1, ENTPD8 ACHE 3624/4885CYP3A4 3606/4885MAPT 4654/4885
US-20240352307-A1 ACCESSING AND MODULATING THE COLOR AND VIBRANCY OF ANODICALLY COLORING ELECTROCHROMIC MOLECULES VDAC2, VDAC3, RARG ACHE 421/4885CYP3A4 468/4885MAPT 2439/4885
US-11478445-B2 Method for treating acute myeloid leukemia MCL1, NPM1, MYADM ACHE 4659/4885CYP3A4 1036/4885MAPT 4830/4885
US-20020042414-A1 Diamide compound and medicine containing the same HRH4, HRH2, HRH1 ACHE 802/4885CYP3A4 609/4885MAPT 3453/4885
US-20250188072-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ACHE 3555/4885CYP3A4 4225/4885MAPT 2614/4885

“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.