SCHEMBL2590168

SCHEMBL2590168

CC(C)(C)OCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
IDO1 P14902 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TAAR1 Q96RJ0 4/20 0.41
ATM Q13315 1/20 0.41
SLC6A2 P23975 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
CYP2A6 P11509 1/20 0.41
HTR2A P28223 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LOXL2 Q9Y4K0 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
SCHEMBL14498980 0.87 IDO1 (0.55) IDO1SLC6A2
SCHEMBL22282162 0.85 IDO1 (0.48) IDO1TDP1
SCHEMBL19808422 0.83 MAOA (0.40) CA1CA2CA9NPC1RAB9A
SCHEMBL1357307 0.83 CA1 (0.46) CA1CA2CA9IDO1NPC1
SCHEMBL1357308 0.83 TDP1 (0.43) CA1CA2CA9IDO1NPC1
SCHEMBL8376179 0.81 CA1 (0.47) CA1CA2CA9IDO1NPC1
SCHEMBL30266580 0.81 CA1 (0.40) CA1CA2CA9IDO1NPC1
SCHEMBL14498996 0.80 CYP1A2 (0.46) IDO1NPC1RAB9AALOX15TAAR1
SCHEMBL12021287 0.80 TAAR1 (0.46) CA2ALDH1A1HPGDTAAR1ATM
SCHEMBL29219369 0.79 CA1 (0.43) CA1CA2CA9IDO1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092768-A1 CRYSTAL FORM OF ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD FOR CRYSTAL FORM, AND USE OF CRYSTAL FORM XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-03-21 US claimed
CN-112218847-B Method for preparing iloprost 奇诺因药物和化学工厂私人有限公司 2024-03-08 CN claimed
EP-4282860-A1 CRYSTAL FORM OF ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD FOR CRYSTAL FORM, AND USE OF CRYSTAL FORM Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-11-29 EP claimed
WO-2022156737-A1 CRYSTAL FORM OF ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD FOR CRYSTAL FORM, AND USE OF CRYSTAL FORM 四川海思科制药有限公司 2022-07-28 WO claimed
US-20240092768-A1 CRYSTAL FORM OF ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD FOR CRYSTAL FORM, AND USE OF CRYSTAL FORM XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-03-21 US disclosed
EP-4282860-A1 CRYSTAL FORM OF ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD FOR CRYSTAL FORM, AND USE OF CRYSTAL FORM Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-11-29 EP disclosed
US-20230339866-A1 Quinazoline compounds and the use thereof in the treatment of cancer TroBio Therapeutics Pty Ltd (AU) 2023-10-26 US disclosed
US-20230339866-A1 Quinazoline compounds and the use thereof in the treatment of cancer TroBio Therapeutics Pty Ltd (AU) 2023-10-26 US disclosed
US-11771697-B2 Small molecule degraders of polybromo-1 (PBRM1) DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-03 US disclosed
US-11760715-B2 Modulators of lipoxygenase and cyclooxygenase enzyme activity UNIVERSITÉ DE MONCTON (CA) 2023-09-19 US disclosed
US-11760715-B2 Modulators of lipoxygenase and cyclooxygenase enzyme activity UNIVERSITÉ DE MONCTON (CA) 2023-09-19 US disclosed
CN-116670132-A Crystal form of anti-influenza virus compound, preparation method and application thereof 四川海思科制药有限公司 2023-08-29 CN disclosed
WO-2000007981-A1 OPEN CHAIN ALKOXYAMINE COMPOUNDS AND THEIR USE AS POLYMERIZATION REGULATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-02-17 WO disclosed
US-6001823-A NOVEL PYRANOSIDES WHICH ARE BELIEVED TO BE CAPABLE OF INTERACTING WITH PERIPLASMIC MOLECULAR CHAPERONES WASHINGTON UNIVERSITY 1999-12-14 US disclosed
EP-0730601-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS WASHINGTON UNIVERSITY (US) 1996-09-11 EP disclosed
WO-1995014028-A9 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS 1995-08-10 WO disclosed
WO-1995014028-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS WASHINGTON UNIVERSITY (US) 1995-05-26 WO disclosed
EP-0135280-B1 NEW POLYMERIZATION PROCESS AND POLYMERS PRODUCED THEREBY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1993-05-12 EP disclosed
US-4581429-A Polymerization process and polymers produced thereby COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1986-04-08 US disclosed
EP-0135280-A2 New polymerization process and polymers produced thereby COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1985-03-27 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-11760715-B2 Modulators of lipoxygenase and cyclooxygenase enzyme activity ALOX12, ALOX15B, ALOX5 CA1 4195/4885CA2 2843/4885CA9 4334/4885
US-11771697-B2 Small molecule degraders of polybromo-1 (PBRM1) PBRM1, SMARCC1, SMARCC2 CA1 4311/4885CA2 4196/4885CA9 4020/4885
US-20240092768-A1 CRYSTAL FORM OF ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD FOR CRYSTAL FORM, AND USE OF CRYSTAL FORM ZC3HAV1, ZC3HAV1L, FMNL1 CA1 618/4885CA2 2336/4885CA9 1467/4885
US-20230339866-A1 Quinazoline compounds and the use thereof in the treatment of cancer NQO2, TP53, ABL1 CA1 3505/4885CA2 3303/4885CA9 1108/4885

“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.