SCHEMBL180622

SCHEMBL180622

BrC(Br)(Br)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KCNN4 O15554 4/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALOX15 P16050 1/20 0.39
PTPN1 P18031 1/20 0.38
ESR1 P03372 1/20 0.38
CYP3A4 P08684 1/20 0.38
ESR2 Q92731 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
Trimethylammonium SCHEMBL28646670 0.87 KCNN4 (0.55) ALDH1A1KCNN4TSHRMAPK1TAAR1
Sulfur Dioxide SCHEMBL28914858 0.87 KCNN4 (0.41) ALDH1A1KCNN4TSHRMAPK1TDP1
SCHEMBL1538898 0.77 ALDH1A1 (0.50) ALDH1A1KCNN4TSHRMAPK1TDP1
SCHEMBL21647231 0.77 ALDH1A1 (0.50) ALDH1A1KCNN4TSHRMAPK1TDP1
Bromotriphenylmethane SCHEMBL263 0.77 ALDH1A1 (0.50) ALDH1A1KCNN4TSHRMAPK1TDP1
SCHEMBL1538551 0.74 PGK1 (0.39) ALDH1A1KCNN4TSHRMAPK1TAAR1
SCHEMBL642315 0.74 TAAR1 (0.57) ALDH1A1KCNN4TSHRMAPK1TAAR1
Bromotriphenylmethane SCHEMBL2379015 0.74 KCNN4 (0.47) ALDH1A1KCNN4TSHRMAPK1TDP1
Bromotriphenylmethane SCHEMBL113031 0.74 KCNN4 (0.47) ALDH1A1KCNN4TSHRMAPK1TDP1
Bromotriphenylmethane SCHEMBL2141926 0.74 KCNN4 (0.47) ALDH1A1KCNN4TSHRMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119284855-A Preparation method of lithium iron manganese phosphate battery positive electrode material 广西金茂钛业股份有限公司 2025-01-10 CN claimed
CN-118572161-A Anion exchange membrane of all-iron flow battery and preparation method and application thereof 中国科学院金属研究所 2024-08-30 CN claimed
CN-118344586-A Ion covalent organic polymer material and preparation method and application thereof 河北工程大学 2024-07-16 CN claimed
CN-118085313-A Polyion liquid-metal organic framework composite material and preparation method and application thereof 福州大学 2024-05-28 CN claimed
US-20240117005-A1 NOVEL BICYCLIC PEPTIDES THE COUNCIL OF THE QUEENSLAND INSTITUTE OF MEDICAL RESEARCH (AU) 2024-04-11 US claimed
CN-117820159-A Synthesis method of 3,3' -dihydroxyazobenzene and hyperbranched azobenzene derived from same 河南省科学院高新技术研究中心 2024-04-05 CN claimed
CN-117487139-A Covalent organic polymer based on tetrastyrene group, preparation method and application thereof 华南理工大学 2024-02-02 CN claimed
CN-114656525-B RGD cyclic peptide for cancer cell integrin and application thereof in preparation of tumor drugs 合肥师范学院 2024-02-02 CN claimed
US-11845769-B2 Anion exchange stationary phases based on a polyalkylpolyamine polymer layer DIONEX CORPORATION (US) 2023-12-19 US claimed
EP-4281486-A1 NOVEL BICYCLIC PEPTIDES The Council of the Queensland Institute of Medical Research (AU) 2023-11-29 EP claimed
EP-0036352-B1 PROCESS FOR THE PREPARATION OF TRIFLUOROMETHYL BENZENES FROM THE CORRESPONDING TRICHLORO OR TRIBROMO METHYL BENZENES RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1983-06-01 EP claimed
US-4359426-A Process for the production of aromatic isocyanates containing aromatically bound sulfochloride groups BAYER AKTIENGESELLSCHAFT (DE) 1982-11-16 US claimed
EP-0003263-B1 A METHOD OF FORMING AN IMAGE, AND AN IMAGING ELEMENT FOR INHIBITING IMAGE FORMATION WITH COBALT (III) COMPLEXES EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1982-09-29 EP claimed
EP-0045431-A1 Process for the side-chain bromination of toluenes and mixtures of toluenes diversly highly brominated in the side chain BAYER AG (DE) 1982-02-10 EP claimed
EP-0011288-B1 P-TERT.-BUTYLBENZOTRIBROMIDE AND HIS DERIVATIVES WHICH ARE SUBSTITUTED IN THE RING BY HALOGEN, A PROCESS FOR THEIR PREPARATION AS WELL AS THEIR USE. HOECHST AKTIENGESELLSCHAFT (DE) 1982-01-20 EP claimed
EP-0036352-A1 Process for the preparation of trifluoromethyl benzenes from the corresponding trichloro or tribromo methyl benzenes RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1981-09-23 EP claimed
EP-0034711-A2 Process for preparing aromatic isocyanates with aromatically bound sulfochloride groups BAYER AG (DE) 1981-09-02 EP claimed
EP-0003263-A1 A method of forming an image, and an imaging element for inhibiting image formation with cobalt (III) complexes EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1979-08-08 EP claimed
WO-1979000448-A1 INHIBITING IMAGE FORMATION WITH COBALT(III)COMPLEXES EASTMAN KODAK CO (US) 1979-07-26 WO claimed
US-4013817-A HALOGENATED AROMATIC HYDROCARBON BRIDGESTONE TIRE COMPANY LIMITED (JA) 1977-03-22 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20240117005-A1 NOVEL BICYCLIC PEPTIDES PDCD1LG2, PDCD1, CD274 ALDH1A1 3941/4885KCNN4 4870/4885TSHR 1724/4885

“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.