SCHEMBL1984098

SCHEMBL1984098

O=C1CCc2cc(Cl)ccc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 4/20 0.43
▸ SRD5A1 P18405 5/20 0.41
▸ ALDH2 P05091 1/20 0.41
▸ ALDH3A1 P30838 1/20 0.41
▸ MAOA P21397 2/20 0.40
▸ MAOB P27338 2/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ SRD5A2 P31213 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 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
SCHEMBL29642661 0.82 MAOA (0.54) AHRMAOAMAOBCA12CA2
SCHEMBL6287157 0.82 MAOA (0.54) AHRMAOAMAOBCA12CA2
SCHEMBL3754190 0.81 PTGS2 (0.51) ALDH2ALDH3A1MAOAMAOBCA12
SCHEMBL30749724 0.81 PTGS2 (0.51) ALDH2ALDH3A1MAOAMAOBCA12
SCHEMBL752211 0.77 ALDH2 (0.41) SRD5A1ALDH2ALDH3A1MAOBKDM4E
SCHEMBL32672830 0.77 ALDH2 (0.41) SRD5A1ALDH2ALDH3A1MAOBKDM4E
SCHEMBL5859179 0.77 ALDH2 (0.41) ALDH2ALDH3A1MAOAMAOBKDM4E
SCHEMBL4596158 0.77 AHR (0.43) AHRSRD5A1ALDH2ALDH3A1SRD5A2
SCHEMBL3504905 0.77 ALDH2 (0.47) SRD5A1ALDH2ALDH3A1CA12CA9
SCHEMBL1854415 0.77 HSD17B10 (0.48) ALDH2ALDH3A1MAOBCA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116396258-B Dihydrocoumarin method for synthesizing compound 河南中烟工业有限责任公司 2024-10-22 — — CN disclosed
CN-102161653-A Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (vr1) receptor and uses thereof ABBOTT LAB 2011-08-24 — — CN disclosed
EP-1026150-B1 (2-oxy substituted)-phenylalkanamide derivative, hair growth promoter and external composition for skin using the same SHISEIDO CO LTD (JP) 2011-06-29 — — EP disclosed
CN-101443327-A Chromanylurea compounds that inhibit vanilloid receptor subtype 1(VR1) receptor and uses thereof ABBOTT LAB (US) 2009-05-27 — — CN disclosed
US-20070249578-A1 New amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2007-10-25 — — US disclosed
US-7241757-B2 Amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2007-07-10 — — US disclosed
EP-1369490-B1 Method of preparing a composition containing hygromycin A and epi-hygromycin PFIZER PROD INC (US) 2006-02-08 — — EP disclosed
EP-1012140-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2004-09-29 — — EP disclosed
US-20040186090-A1 New amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2004-09-23 — — US disclosed
US-6750243-B1 COMPETITIVE INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASES, ESPECIALLY THROMBIN; chemical synthesis; anticoagulants; treatment of thrombosis AstraZeneća AB (SE) 2004-06-15 — — US disclosed
US-6265397-B1 Amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2001-07-24 — — US disclosed
EP-1075483-A2 HYGROMYCIN A DERIVATIVES Pfizer Products Inc. (US) 2001-02-14 — — EP disclosed
EP-1026150-A1 (2-oxy substituted)-phenylalkanamide derivative, hair growth promoter and external composition for skin using the same SHISEIDO COMPANY LIMITED (JP) 2000-08-09 — — EP disclosed
EP-1012140-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS AstraZeneca AB (SE) 2000-06-28 — — EP disclosed
WO-2000035869-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2000-06-22 — — WO disclosed
WO-1999057125-A2 HYGROMYCIN A DERIVATIVES PFIZER PRODUCTS INC. (US) 1999-11-11 — — WO disclosed
WO-1998057932-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1998-12-23 — — WO disclosed
EP-0246114-B1 PHOTOCHROMIC SPIROPYRAN COMPOUNDS GEC-MARCONI LIMITED (GB) 1992-09-02 — — EP disclosed
US-4826977-A Photochromic spiropyran compounds THE PLESSEY COMPANY PLC (GB) 1989-05-02 — — US disclosed
EP-0246114-A2 Photochromic spiropyran compounds GEC-MARCONI LIMITED (GB) 1987-11-19 — — 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 (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-20070249578-A1 New amidino derivatives and their use as thrombin inhibitors SERPINC1, SERPINE1, TFPI AHR 2970/4885SRD5A1 1227/4885ALDH2 4875/4885
US-20040186090-A1 New amidino derivatives and their use as thrombin inhibitors SERPINC1, SERPINE1, SERPINB1 AHR 4130/4885SRD5A1 704/4885ALDH2 4847/4885

“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.

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