SCHEMBL21244052

SCHEMBL21244052

COc1ccc(CC#Cc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.55
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
CA4 P22748 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
NLRP3 Q96P20 1/20 0.46
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
APP P05067 2/20 0.44
MMP2 P08253 2/20 0.44

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
SCHEMBL702843 0.93 LTA4H (0.55) LTA4HCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2465614 0.84 TSHR (0.46) LTA4HCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8454690 0.84 APP (0.47) LTA4HALDH1A1APPIDO1KCNH2
SCHEMBL28811444 0.83 APP (0.50) LTA4HCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28304802 0.82 IDO1 (0.56) LTA4HCYP3A4ALDH1A1MAPTTSHR
SCHEMBL8455472 0.81 AOC3 (0.46) FFAR1FFAR4SIGMAR1APPIDO1
SCHEMBL5552160 0.80 APP (0.65) LTA4HMAPTCA4MEN1NPC1
SCHEMBL3397750 0.80 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL8910688 0.79 POLB (0.58) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL9715656 0.78 APP (0.63) LTA4HMAPTCA4MEN1NPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114656314-B Preparation method of internal alkyne compound 许昌学院 2024-04-05 CN disclosed
EP-3529239-B1 PHOTOINITIATORS WITH PROTECTED CARBONYL GROUP 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-02-15 EP disclosed
CN-114656314-A Preparation method of internal alkyne compound 许昌学院 2022-06-24 CN disclosed
CN-109843861-B Photoinitiators with protected carbonyl groups 3M创新有限公司 2022-05-13 CN disclosed
US-10968197-B2 Photoinitiators with protected carbonyl group 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-04-06 US disclosed
US-10968197-B2 Photoinitiators with protected carbonyl group 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-04-06 US disclosed
US-20190248757-A1 PHOTOINITIATORS WITH PROTECTED CARBONYL GROUP 3M INNOVATIVE PROPERTIES COMPANY 2019-08-15 US disclosed
US-20190248757-A1 PHOTOINITIATORS WITH PROTECTED CARBONYL GROUP 3M INNOVATIVE PROPERTIES COMPANY 2019-08-15 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 (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-20190248757-A1 PHOTOINITIATORS WITH PROTECTED CARBONYL GROUP AHR, CYP1A1, CYP1B1 LTA4H 4224/4885CYP1A2 34/4885CYP3A4 201/4885
US-10968197-B2 Photoinitiators with protected carbonyl group AHR, CYP1A1, CYP1B1 LTA4H 4224/4885CYP1A2 34/4885CYP3A4 201/4885

“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.