SCHEMBL3884085

SCHEMBL3884085

CC[S+]([O-])c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.34
IDO1 P14902 1/20 0.33
GAA P10253 1/20 0.33
ELANE P08246 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CA12 O43570 1/20 0.31

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
SCHEMBL12283711 1.00 ACHE (0.40) ACHETDP1ALDH1A1IDO1GAA
SCHEMBL20906472 0.82 ACHE (0.42) ACHETDP1ALDH1A1IDO1GAA
SCHEMBL20921311 0.82 ACHE (0.42) ACHETDP1ALDH1A1IDO1GAA
SCHEMBL6319958 0.81 ACHE (0.36) ACHETDP1ALDH1A1IDO1GAA
SCHEMBL7332889 0.78 LMNA (0.38) TDP1ALDH1A1IDO1ELANECYP3A4
SCHEMBL11092898 0.78 ACHE (0.38) ACHETDP1ALDH1A1IDO1GAA
SCHEMBL20590378 0.78 CYP2A6 (0.38) ALDH1A1GAAMAPTCA1CA2
SCHEMBL20226629 0.78 GAA (0.40) ACHETDP1ALDH1A1GAACYP3A4
SCHEMBL17447443 0.78 CYP1A2 (0.39) ACHETDP1ALDH1A1IDO1GAA
SCHEMBL7474191 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838019-B2 Phosphorescent material and electroluminescent device using thereof RITEK CORPORATION (TW) 2005-01-04 US claimed
US-20030102800-A1 Phosphorescent material RITEK CORPORATION (TW) 2003-06-05 US claimed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
EP-4206175-A1 PREPARATION OF SUBSTITUTED ACRYLATE COMPOUND Hua Medicine (Shanghai) Ltd. (CN) 2023-07-05 EP disclosed
US-20220267283-A1 HETEROCYCLIC COMPOUNDS FOR CANCER IMAGING AND TREATMENT AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-08-25 US disclosed
US-11345670-B2 Heterocyclic compounds for cancer imaging and treatment and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-05-31 US disclosed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
US-11283107-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-22 US disclosed
US-20210387957-A1 BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-12-16 US disclosed
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
US-20200325106-A1 HETEROCYCLIC COMPOUNDS FOR CANCER IMAGING AND TREATMENT AND METHODS FOR THEIR USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-10-15 US disclosed
EP-2012386-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2009-01-07 EP disclosed
US-7456311-B2 Adamantane derivative, process for producing the same, and photosensitive material for photoresist IDEMITSU KOSAN CO., LTD. (JP) 2008-11-25 US disclosed
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives ABBVIE INC. 2008-08-07 US disclosed
US-20080009647-A1 Adamantane Derivative, Process for Producing the Same, and Photosensitive Material for Photoresist IDEMITSU KOSAN CO., LTD. (JP) 2008-01-10 US disclosed
EP-1803708-A1 ADAMANTANE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PHOTOSENSITIVE MATERIAL FOR PHOTORESIST IDEMITSU KOSAN CO., LTD. (JP) 2007-07-04 EP disclosed
CN-1288222-C Phosphorescent light-emitting material LAIDE SCIENCE & TECHNOLOGY CO (CN) 2006-12-06 CN disclosed
US-6838019-B2 Phosphorescent material and electroluminescent device using thereof RITEK CORPORATION (TW) 2005-01-04 US disclosed
CN-1464027-A Phosphorescent light-emitting material LAIDE SCIENCE & TECHNOLOGY CO (CN) 2003-12-31 CN disclosed
US-20030102800-A1 Phosphorescent material RITEK CORPORATION (TW) 2003-06-05 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-20210387957-A1 BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS AR, SHBG, NR5A1 ACHE 4517/4885TDP1 1267/4885ALDH1A1 492/4885
US-11345670-B2 Heterocyclic compounds for cancer imaging and treatment and methods for their use AR, KLK3, GNRHR ACHE 3643/4885TDP1 745/4885ALDH1A1 668/4885
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives DPYD, TYMS, UMPS ACHE 3918/4885TDP1 604/4885ALDH1A1 411/4885
US-20220267283-A1 HETEROCYCLIC COMPOUNDS FOR CANCER IMAGING AND TREATMENT AND METHODS FOR THEIR USE AR, KLK3, GNRHR ACHE 3643/4885TDP1 745/4885ALDH1A1 668/4885
US-20080009647-A1 Adamantane Derivative, Process for Producing the Same, and Photosensitive Material for Photoresist LSS, C1S, DHPS ACHE 2358/4885TDP1 2649/4885ALDH1A1 1544/4885
US-20200325106-A1 HETEROCYCLIC COMPOUNDS FOR CANCER IMAGING AND TREATMENT AND METHODS FOR THEIR USE AR, KLK3, GNRHR ACHE 3643/4885TDP1 745/4885ALDH1A1 668/4885
US-20030102800-A1 Phosphorescent material PKD1, RPS6KA1, RPS6KA6 ACHE 4774/4885TDP1 4727/4885ALDH1A1 1624/4885

“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.