SCHEMBL31052

SCHEMBL31052

COCc1cc(OC)cc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
CYP19A1 P11511 1/20 0.47
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
CALM1 P0DP23 2/20 0.44
AKR1B1 P15121 1/20 0.44
ABCB1 P08183 2/20 0.43
TSHR P16473 2/20 0.42
PTGS2 P35354 1/20 0.42
CYP3A4 P08684 1/20 0.42
IDO1 P14902 1/20 0.42
AGXT P21549 1/20 0.42
ABL1 P00519 1/20 0.41

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
SCHEMBL10204849 0.86 TACR1 (0.51) ALDH1A1CYP19A1GRIN2DGRIN3BGRIN1
SCHEMBL1620230 0.84 GRIN2D (0.47) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4976688 0.84 CYP19A1 (0.48) ALDH1A1CYP19A1GRIN2DGRIN3BGRIN1
SCHEMBL12093683 0.84 IDO1 (0.43) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7889540 0.84 ALDH1A1 (0.58) ALDH1A1CYP19A1CYP1A1CYP1B1CALM1
SCHEMBL4693657 0.84 GRM5 (0.41) ALDH1A1CYP19A1GRIN2DGRIN3BGRIN1
SCHEMBL16098550 0.82 ALDH1A1 (0.55) ALDH1A1CYP19A1ABCB1
SCHEMBL13085700 0.81 TACR1 (0.38) ALDH1A1CYP19A1GRIN2DGRIN3BGRIN1
SCHEMBL13703986 0.81 MAOB (0.67) ABCB1TSHRMAPK1
SCHEMBL2094348 0.80 ALDH1A1 (0.52) ALDH1A1CYP19A1CYP1A1CYP1B1CALM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US claimed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP claimed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO claimed
US-20250276966-A1 Nitrogen-Linked Benzisoxazole Sulfonamide Derivatives PFIZER (US) 2025-09-04 US disclosed
US-20250122183-A1 Nitrogen-Linked Benzisoxazole Sulfonamide Derivatives PFIZER (US) 2025-04-17 US disclosed
WO-2025074249-A1 NITROGEN-LINKED BENZISOXAZOLE SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF CANCER PFIZER INC. (US) 2025-04-10 WO disclosed
US-9937167-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS (CANADA) INC. (CA) 2018-04-10 US disclosed
CN-105601604-B Dracorhodin and its salt, the preparation method of intermediate and these midbody compounds 北京颖诺凯胜科技有限公司 2018-03-09 CN disclosed
US-20170224682-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO NEOLEUKIN THERAPEUTICS, INC. 2017-08-10 US disclosed
CN-105601604-A Preparation methods of dracorhodin and salt and intermediates thereof and intermediate compounds INNOCHEM (BEIJING) TECH CO LTD 2016-05-25 CN disclosed
US-9273017-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2016-03-01 US disclosed
US-20040224974-A1 7-phenylpyrazolopyridine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-11-11 US disclosed
US-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US disclosed
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP disclosed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO disclosed
EP-0393445-A2 Use of peptide renin inhibitors as an agent against retrovirus BAYER AG (DE) 1990-10-24 EP disclosed
EP-0356796-A2 Aminomethyl peptides, production process and their use as medicaments BAYER AG (DE) 1990-03-07 EP disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 EP 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 (4 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-20040224974-A1 7-phenylpyrazolopyridine compounds CRHR1, MC2R, CRH ALDH1A1 2616/4885CYP19A1 3030/4885GRIN2D 592/4885
US-20170224682-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D ALDH1A1 1497/4885CYP19A1 3724/4885GRIN2D 4744/4885
US-20250122183-A1 Nitrogen-Linked Benzisoxazole Sulfonamide Derivatives CCNI, MKI67, CCNA1 ALDH1A1 761/4885CYP19A1 560/4885GRIN2D 4511/4885
US-20250276966-A1 Nitrogen-Linked Benzisoxazole Sulfonamide Derivatives CCNI, MKI67, CCNA1 ALDH1A1 792/4885CYP19A1 586/4885GRIN2D 4497/4885

“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.