SCHEMBL21047580

SCHEMBL21047580

O=C1CCN(c2cccc3ccccc23)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.53
HTR7 P34969 5/20 0.53
HSD17B10 Q99714 2/20 0.53
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
NCF1 P14598 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
HTR2A P28223 1/20 0.53
MTOR P42345 1/20 0.53
HTR3A P46098 1/20 0.53
HTR5A P47898 1/20 0.53
HTR6 P50406 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL21047805 0.90 HTR1A (0.50) HTR1AHTR7HSD17B10HTR3EHTR3B
SCHEMBL7562950 0.89 HTR1A (0.61) HTR1AHTR7HSD17B10HTR3EHTR3B
SCHEMBL21047909 0.84 HTR1A (0.37) HTR1AHTR7HSD17B10HTR3EHTR3B
SCHEMBL21047708 0.84 HTR1A (0.37) HTR1AHTR7HSD17B10HTR3EHTR3B
SCHEMBL21047697 0.84 HTR1A (0.37) HTR1AHTR7HSD17B10HTR3EHTR3B
SCHEMBL29923575 0.79 CYP1A2 (0.53) HTR1AHTR7HSD17B10HTR3EHTR3B
SCHEMBL28043453 0.79 CYP1A2 (0.53) HTR1AHTR7HSD17B10HTR3EHTR3B
SCHEMBL9643856 0.77 HTR1A (0.74) HTR1AHTR7HSD17B10HTR3EHTR3B
SCHEMBL10407412 0.77 ALOX5 (0.50) HSD17B10TSHRALDH1A1KDM4EPOLB
SCHEMBL28283940 0.76 ALDH1A1 (0.38) HTR1AHTR7HSD17B10HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495341-B1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL KANTO DENKA KOGYO KK (JP) 2022-11-02 EP disclosed
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material KANTO DENKA KOGYO CO., LTD. (JP) 2019-10-22 US disclosed
EP-3495341-A1 METHOD FOR PRODUCING PERFLUOROALKYL COMPOUND USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL Kanto Denka Kogyo Co., Ltd. (JP) 2019-06-12 EP disclosed
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2019-06-06 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-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL PFKFB1, PFKFB4, PFAS HTR1A 3324/4885HTR7 2296/4885HSD17B10 444/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS HTR1A 3324/4885HTR7 2296/4885HSD17B10 444/4885

“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.