SCHEMBL21064683

SCHEMBL21064683

CCC(C)c1ccc(F)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
RORC P51449 1/20 0.47
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
TRPA1 O75762 1/20 0.38
LMNA P02545 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
SCHEMBL18885180 0.86 RORC (0.58) TSHRRORCCA3CA6CA5A
SCHEMBL22823982 0.81 PDE2A (0.49) CA3CA6CA5ACA9CA14
SCHEMBL29368335 0.81 PDE2A (0.49) CA3CA6CA5ACA9CA14
SCHEMBL29492442 0.80 TSHR (0.61) TSHRRORCUSP2ALDH1A1GAA
SCHEMBL12686652 0.80 MC4R (0.41) TSHRRORCALDH1A1PKMSLC6A2
SCHEMBL12686634 0.80 MC4R (0.41) TSHRRORCALDH1A1PKMSLC6A2
SCHEMBL1104213 0.80 TSHR (0.61) TSHRRORCUSP2ALDH1A1GAA
SCHEMBL25974967 0.80 MC4R (0.41) TSHRRORCALDH1A1PKMSLC6A2
SCHEMBL11242260 0.79 CA3 (0.50) CA3CA6CA5ACA9CA14
SCHEMBL9888665 0.79 LMNA (0.59) TSHRCA3CA6CA5ACA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210230101-A1 COMPOUNDS FOR TREATING DENGUE VIRUS INFECTIONS AND OTHER INFECTIONS DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-07-29 US disclosed
US-RE47415-E1 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-06-04 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 (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-20210230101-A1 COMPOUNDS FOR TREATING DENGUE VIRUS INFECTIONS AND OTHER INFECTIONS EIF2AK2, HAVCR2, MAVS TSHR 4764/4885RORC 149/4885CA3 4317/4885

“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.