SCHEMBL78489

SCHEMBL78489

CC(C)(C)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
KCNN4 O15554 3/20 0.48
LMNA P02545 2/20 0.47
CA2 P00918 2/20 0.46
HSD11B1 P28845 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
OPRK1 P41145 2/20 0.39
KCNH2 Q12809 2/20 0.39
ADRA1A P35348 1/20 0.39
KIF11 P52732 1/20 0.38
KCNA3 P22001 2/20 0.36
GLA P06280 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36

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
Benzene SCHEMBL28296949 0.97 KCNN4 (0.52) TSHRALDH1A1TDP1KCNN4LMNA
Formaldehyde SCHEMBL27601295 0.93 ALDH1A1 (0.44) TSHRALDH1A1TDP1KCNN4LMNA
Chlorobenzene SCHEMBL28295200 0.91 TSHR (0.50) TSHRALDH1A1TDP1KCNN4LMNA
SCHEMBL27635853 0.89 ALDH1A1 (0.41) TSHRALDH1A1TDP1KCNN4LMNA
Formamide SCHEMBL28296947 0.87 KCNN4 (0.44) TSHRALDH1A1TDP1KCNN4LMNA
SCHEMBL7571745 0.83 KCNN4 (0.48) TSHRALDH1A1TDP1KCNN4LMNA
Formic Acid Methyl Ester SCHEMBL28296946 0.83 TDP1 (0.38) TSHRALDH1A1TDP1KCNN4LMNA
SCHEMBL27759221 0.83 CYP2A6 (0.54) TSHRALDH1A1TDP1KCNN4LMNA
SCHEMBL6683028 0.81 KCNN4 (0.46) TSHRALDH1A1TDP1KCNN4LMNA
SCHEMBL28826593 0.81 KCNN4 (0.46) TSHRALDH1A1TDP1KCNN4LMNA

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 1343 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115745457-A High-adaptability concrete superplasticizer, preparation method and application thereof 南京博特新材料有限公司 2023-03-07 CN claimed
CN-115725035-A Slump-retaining concrete superplasticizer, preparation method and application thereof 博特新材料泰州有限公司 2023-03-03 CN claimed
CN-107973812-B A method of preparing aryl boric acid neopentyl glycol esters compound 苏州大学 2019-08-13 CN claimed
JP-57154134-A None JP disclosed
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2024-01-25 US disclosed
EP-4041714-B1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-12-13 EP disclosed
US-11840527-B2 Non-fused thiophene derivatives and their uses ENYO PHARMA (FR) 2023-12-12 US disclosed
US-5105036-A Friedel-Crafts catalyst and oxy-substituted cyclic amidines as cocatylsts; preferential formation of p-isomer BAYER AKTIENGESELLSCHAFT (DE) 1992-04-14 US disclosed
EP-0442115-A1 Process for nucleus-chlorination of aromatic hydrocarbons BAYER AG (DE) 1991-08-21 EP disclosed
US-4990707-A Process for the ring chlorination of aromatic hydrocarbons BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
EP-0292824-B1 PROCESS FOR THE NUCLEAR CHLORINATION OF AROMATIC HYDROCARBONS BAYER AG (DE) 1990-08-01 EP disclosed
EP-0368063-A1 Process for the chlorination in the nucleus of aromatic hydrocarbons BAYER AG (DE) 1990-05-16 EP disclosed
US-4851596-A Process for nucleus-chlorination of aromatic hydrocarbons BAYER AKTIENGESELLSCHAFT (DE) 1989-07-25 US disclosed
EP-0291718-A1 Process for making meta-alkyl phenols ETHYL CORPORATION (US) 1988-11-23 EP disclosed
US-4774368-A Process for making meta-alkyl phenols ETHYL CORPORATION (US) 1988-09-27 US disclosed
JP-S57154134-A PREPARATION OF HALOGENONEOPHYL CHLORIDE MITSUI TOATSU CHEM INC 1982-09-22 JP 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 (5 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-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD TSHR 4595/4885ALDH1A1 2457/4885TDP1 1022/4885
US-12030904-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 TSHR 4567/4885ALDH1A1 3639/4885TDP1 2380/4885
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF PHOSPHO1, SGMS2, SGMS1 TSHR 4567/4885ALDH1A1 3639/4885TDP1 2380/4885
US-11840527-B2 Non-fused thiophene derivatives and their uses FTH1, SLC40A1, FECH TSHR 1240/4885ALDH1A1 1977/4885TDP1 1840/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 TSHR 3550/4885ALDH1A1 4709/4885TDP1 1450/4885

“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.